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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 ============== 54.5551
LDB: Largest compute 200 load 0.430071 is 1.2% of average load 36.765039
LDB: Average compute 0.051503 is 0.1% of average load 36.765039
LDB: Partitioning computes with target load 3.676504
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056141
LDB: ============== END OF LOAD BALANCING =============== 54.5572
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5581
Info: Initial time: 4 CPUs 0.473549 s/step 5.48089 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.3258, 0.472726/step Wall: 48.3258, 0.472726/step, 0.0525251 hours remaining, 3221.566406 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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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.9907
LDB: ============== END OF LOAD BALANCING =============== 63.9907
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9912
TIMING: 120 CPU: 57.7557, 0.471497/step Wall: 57.7557, 0.471497/step, 0.0497691 hours remaining, 3221.699219 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: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.183, 0.471363/step Wall: 67.183, 0.471363/step, 0.0471363 hours remaining, 3222.035156 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 -333726.9443 21127.4061 0.0000 0.0000 45144.2513 -222551.1435 164.2224 -267695.3948 -222224.0363 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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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 19956.3834 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5896 -222515.5246 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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TIMING: 160 CPU: 76.5989, 0.470795/step Wall: 76.5989, 0.470795/step, 0.044464 hours remaining, 3222.164062 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: 162 22512.8124 18508.1494 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4905 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8658 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7465 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9999, 0.470051/step Wall: 85.9999, 0.470051/step, 0.0417824 hours remaining, 3222.304688 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: 184 18376.8756 19424.9916 5710.5469 174.1844 -332181.9081 21042.4478 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0855 -222130.9078 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2729 21129.4587 0.0000 0.0000 42574.3654 -222242.4586 154.8738 -264816.8240 -222086.7179 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0320 159.7372 -266302.3183 -222090.4391 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.64
LDB: Largest compute 200 load 0.425327 is 1.2% of average load 36.584148
LDB: Average compute 0.051242 is 0.1% of average load 36.584148
LDB: TIME 101.642 LOAD: AVG 36.5841 MAX 37.6485 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.644 LOAD: AVG 36.5841 MAX 37.4988 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.646
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.649
Info: Initial time: 4 CPUs 0.470735 s/step 5.44832 days/ns 3223.38 MB memory
TIMING: 200 CPU: 95.4093, 0.470469/step Wall: 95.4093, 0.470469/step, 0.0392057 hours remaining, 3223.375000 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: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0057 5710.3389 180.5135 -335910.2412 21349.5043 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0617 -222106.7902 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2567 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4335 -222516.0283 164.6123 -267767.4618 -222108.2017 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8630 5704.9373 176.9105 -336667.8926 21415.1476 0.0000 0.0000 43031.7286 -222254.1130 156.5376 -265285.8416 -222106.8543 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2709 19730.8220 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1639 -222249.7028 156.4046 -265244.8667 -222104.2320 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2161 19524.5247 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2255 -222097.3836 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5530 19421.7447 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6687 -2626.0579 921491.4634 -143.6687 -2626.0579
ENERGY: 215 18210.5057 19441.9743 5746.5772 178.1492 -332787.3323 21379.5595 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0449 164.7987 784.0013 -2554.0369 921491.4634 784.0013 -2554.0369
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1061 21436.4835 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5104 -222073.6156 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6757 21497.2705 0.0000 0.0000 41983.6749 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0892 5761.2415 184.9927 -333856.1146 21546.6560 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2195 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8639 19413.3933 5754.3577 187.2447 -334778.0707 21596.8808 0.0000 0.0000 45751.9296 -222644.4007 166.4329 -268396.3303 -222073.1719 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 104.827, 0.470866/step Wall: 104.827, 0.470866/step, 0.0366229 hours remaining, 3223.375000 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: 114.237, 0.470519/step Wall: 114.237, 0.470519/step, 0.0339819 hours remaining, 3223.375000 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 22110.7715 20111.8209 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
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ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6438 5712.7400 177.5412 -334802.1840 21719.8453 0.0000 0.0000 44912.1912 -222431.6938 163.3782 -267343.8850 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4294 5713.8450 181.3144 -335623.1349 21746.4310 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6227 -222090.3127 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2674 21826.9294 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2176 -222091.3305 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
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ENERGY: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5974 21757.6846 0.0000 0.0000 43181.1613 -222297.2439 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
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TIMING: 260 CPU: 123.638, 0.470052/step Wall: 123.638, 0.470052/step, 0.0313368 hours remaining, 3223.722656 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 20140.5621 5703.8103 187.9445 -335614.9710 21924.4739 0.0000 0.0000 45349.7770 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2261 20436.4304 5710.6950 187.5052 -334855.9509 21907.7771 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8416 20681.9923 5713.6242 187.4392 -334395.6629 21906.0162 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0574 -2683.6034 921491.4634 -2038.0574 -2683.6034
ENERGY: 266 20048.7898 20788.8697 5712.1327 187.6137 -334399.4574 21914.4804 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2675 5707.0583 187.8501 -334831.4851 21930.8373 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7513 5700.1930 187.9286 -335513.7444 21959.1256 0.0000 0.0000 44823.5376 -222504.2923 163.0557 -267327.8299 -222075.9874 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7813 19927.1700 5694.0390 187.7640 -336221.0656 21997.2160 0.0000 0.0000 44586.5098 -222431.5857 162.1935 -267018.0954 -222066.1972 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9166 5690.3173 187.1618 -336650.6770 22028.8070 0.0000 0.0000 44308.0074 -222365.2737 161.1804 -266673.2810 -222067.0433 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7888 22035.2500 0.0000 0.0000 44829.4471 -222406.5210 163.0772 -267235.9681 -222066.8385 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4613 22015.0579 0.0000 0.0000 45607.7074 -222503.3110 165.9083 -268111.0184 -222081.1572 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9082 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7158 -222499.9695 165.5264 -268002.6854 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2539 -222463.7061 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 -335888.5798 22096.4198 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3212 -2682.8390 921491.4634 -4044.3212 -2682.8390
TIMING: 280 CPU: 133.026, 0.469401/step Wall: 133.026, 0.469401/step, 0.0286856 hours remaining, 3223.722656 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 22859.3229 19458.4366 5670.0026 185.3899 -336752.6633 22145.1353 0.0000 0.0000 44066.7338 -222367.6422 160.3027 -266434.3760 -222073.4250 160.3027 -4286.3894 -2748.0548 921491.4634 -4286.3894 -2748.0548
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ENERGY: 282 20943.7898 19615.5377 5669.9796 186.8360 -336942.5035 22176.7653 0.0000 0.0000 45823.3370 -222526.2581 166.6927 -268349.5950 -222063.3319 166.6927 -2992.3273 -2779.3670 921491.4634 -2992.3273 -2779.3670
ENERGY: 283 20432.1062 19966.6612 5678.8137 187.1634 -336251.9202 22171.0647 0.0000 0.0000 45328.8520 -222487.2590 164.8939 -267816.1110 -222060.8463 164.8939 -2008.7738 -2748.2308 921491.4634 -2008.7738 -2748.2308
ENERGY: 284 20506.4000 20401.8819 5692.0830 187.1346 -335412.6299 22166.2908 0.0000 0.0000 44071.4481 -222387.3915 160.3198 -266458.8396 -222061.5541 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3287 20789.9626 5707.3565 186.7145 -334827.1965 22167.0164 0.0000 0.0000 43418.2633 -222354.5546 157.9437 -265772.8178 -222053.5968 157.9437 -1010.8439 -2700.0820 921491.4634 -1010.8439 -2700.0820
ENERGY: 286 19396.6309 20966.5619 5721.5031 185.8230 -334658.1148 22176.6862 0.0000 0.0000 43785.6884 -222425.2213 159.2803 -266210.9097 -222054.0583 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1190 20856.7820 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9439 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2850 5736.9558 182.7335 -335468.3148 22237.9036 0.0000 0.0000 44116.9905 -222455.2376 160.4855 -266572.2281 -222066.9053 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
ENERGY: 289 21886.4834 19928.6979 5736.1905 180.7560 -336126.9122 22279.0689 0.0000 0.0000 43733.4514 -222382.2642 159.0903 -266115.7155 -222062.2724 159.0903 -4368.9814 -2809.8750 921491.4634 -4368.9814 -2809.8750
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 ============== 148.665
LDB: Largest compute 200 load 0.522069 is 1.1% of average load 45.694435
LDB: Average compute 0.064010 is 0.1% of average load 45.694435
LDB: TIME 148.667 LOAD: AVG 45.6944 MAX 47.0158 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 148.667 LOAD: AVG 45.6944 MAX 47.0158 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 148.683 LOAD: AVG 45.6944 MAX 46.1958 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 148.684
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.686
Info: Initial time: 4 CPUs 0.469863 s/step 5.43823 days/ns 3224.14 MB memory
TIMING: 300 CPU: 142.417, 0.469555/step Wall: 142.417, 0.469555/step, 0.0260864 hours remaining, 3224.144531 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: 151.631, 0.460693/step Wall: 151.631, 0.460693/step, 0.0230346 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 160.839, 0.460389/step Wall: 160.839, 0.460389/step, 0.0204617 hours remaining, 3224.144531 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: 170.042, 0.460142/step Wall: 170.042, 0.460142/step, 0.0178944 hours remaining, 3224.144531 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 20473.8100 20495.6593 5711.4639 183.2952 -336584.2282 22821.5836 0.0000 0.0000 44474.7537 -222423.6624 161.7869 -266898.4161 -222044.3970 161.7869 -2972.9875 -2523.3499 921491.4634 -2972.9875 -2523.3499
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TIMING: 380 CPU: 179.238, 0.459815/step Wall: 179.238, 0.459815/step, 0.0153272 hours remaining, 3224.144531 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 19625.4111 19596.0355 5710.5349 179.0647 -336052.0487 22884.2535 0.0000 0.0000 45539.1829 -222517.5661 165.6590 -268056.7490 -222062.0929 165.6590 -569.2376 -2166.9357 921491.4634 -569.2376 -2166.9357
ENERGY: 385 19327.8179 19356.8913 5707.7751 177.4354 -335210.6402 22871.6144 0.0000 0.0000 45299.7168 -222469.3893 164.7879 -267769.1060 -222051.0996 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2272 19220.9465 5707.6637 175.9384 -334865.1820 22880.7958 0.0000 0.0000 44519.8584 -222378.7519 161.9510 -266898.6103 -222051.0440 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8730 22905.2745 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2167 -222053.0053 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
ENERGY: 388 20282.3988 19280.0167 5717.2934 173.7038 -335824.1520 22938.2901 0.0000 0.0000 44972.7759 -222459.6731 163.5986 -267432.4491 -222067.4817 163.5986 -2063.8555 -2076.2820 921491.4634 -2063.8555 -2076.2820
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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 19692.8119 20133.3594 5716.9814 176.0456 -336812.3388 23014.0587 0.0000 0.0000 45592.7322 -222486.3497 165.8538 -268079.0819 -222045.7223 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.708
LDB: Largest compute 230 load 0.525586 is 1.2% of average load 45.600978
LDB: Average compute 0.063844 is 0.1% of average load 45.600978
LDB: TIME 194.71 LOAD: AVG 45.601 MAX 46.0224 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.14 MB
LDB: TIME 194.711 LOAD: AVG 45.601 MAX 46.0224 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: TIME 194.711 LOAD: AVG 45.601 MAX 46.0224 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.14 MB
LDB: ============== END OF LOAD BALANCING =============== 194.711
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.712
Info: Benchmark time: 4 CPUs 0.460164 s/step 5.32597 days/ns 3224.14 MB memory
TIMING: 400 CPU: 188.438, 0.459984/step Wall: 188.438, 0.459984/step, 0.0127773 hours remaining, 3224.144531 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 20661.9897 5710.0856 195.6953 -336157.5864 23063.1713 0.0000 0.0000 44200.2852 -222384.0425 160.7885 -266584.3277 -222052.9648 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3750 20631.3210 5709.0493 192.4696 -336373.1079 23072.1096 0.0000 0.0000 44338.4621 -222398.3213 161.2911 -266736.7834 -222044.6997 161.2911 -112.4555 -2227.1700 921491.4634 -112.4555 -2227.1700
ENERGY: 418 20154.6650 20457.0911 5705.5847 188.6536 -336970.7870 23098.6723 0.0000 0.0000 44915.1422 -222450.9782 163.3889 -267366.1204 -222046.7097 163.3889 -671.8548 -2269.9922 921491.4634 -671.8548 -2269.9922
ENERGY: 419 20790.7632 20185.5525 5700.4810 184.6054 -337717.8758 23139.8020 0.0000 0.0000 45250.3100 -222466.3617 164.6082 -267716.6716 -222049.5954 164.6082 -1783.9424 -2336.6466 921491.4634 -1783.9424 -2336.6466
TIMING: 420 CPU: 197.613, 0.458784/step Wall: 197.613, 0.458784/step, 0.0101952 hours remaining, 3224.144531 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 19603.3345 19432.3067 5702.4947 169.0990 -335270.6868 23080.2888 0.0000 0.0000 44862.7383 -222420.4248 163.1983 -267283.1631 -222049.1092 163.1983 -1125.8051 -2237.7215 921491.4634 -1125.8051 -2237.7215
ENERGY: 427 19598.5316 19595.2895 5707.1504 168.7509 -335498.4312 23074.5002 0.0000 0.0000 44915.2773 -222438.9312 163.3894 -267354.2085 -222048.7340 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4230 19760.4167 5710.4628 168.5259 -336199.9842 23087.7673 0.0000 0.0000 44884.2592 -222448.1294 163.2766 -267332.3886 -222058.0547 163.2766 -935.5733 -2206.9583 921491.4634 -935.5733 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9871 20024.3735 5712.1700 168.1897 -338096.9194 23149.4488 0.0000 0.0000 44626.3098 -222402.4404 162.3383 -267028.7502 -222047.3912 162.3383 -2472.2457 -2268.0464 921491.4634 -2472.2457 -2268.0464
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ENERGY: 432 21768.3701 20188.6724 5710.3546 168.1086 -338651.2096 23176.0841 0.0000 0.0000 45177.9908 -222461.6289 164.3451 -267639.6197 -222065.9062 164.3451 -3350.2742 -2296.1499 921491.4634 -3350.2742 -2296.1499
ENERGY: 433 21200.9069 20275.9665 5710.3763 168.4633 -338164.0633 23162.2906 0.0000 0.0000 45192.9282 -222453.1314 164.3995 -267646.0596 -222052.5985 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3410 20338.1502 5711.6061 169.3247 -337394.2701 23140.7731 0.0000 0.0000 44883.0996 -222420.9755 163.2724 -267304.0751 -222051.1466 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2198 20362.4018 5714.0003 170.8455 -336680.6553 23123.4093 0.0000 0.0000 44675.9839 -222398.7948 162.5190 -267074.7786 -222049.5892 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9241 20349.9985 5717.2345 173.0864 -336303.8810 23119.9073 0.0000 0.0000 44847.0983 -222425.6320 163.1414 -267272.7303 -222059.6962 163.1414 -1520.6600 -2145.1619 921491.4634 -1520.6600 -2145.1619
ENERGY: 437 19434.5516 20329.5095 5720.9893 175.9827 -336411.9784 23136.3863 0.0000 0.0000 45159.2686 -222455.2903 164.2770 -267614.5589 -222050.7505 164.2770 -1319.1171 -2134.4850 921491.4634 -1319.1171 -2134.4850
ENERGY: 438 19935.1533 20278.6098 5724.6883 179.3848 -336899.4575 23173.5514 0.0000 0.0000 45148.1322 -222459.9376 164.2365 -267608.0698 -222051.5671 164.2365 -1493.0944 -2145.0882 921491.4634 -1493.0944 -2145.0882
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TIMING: 440 CPU: 206.779, 0.458264/step Wall: 206.779, 0.458264/step, 0.00763774 hours remaining, 3224.144531 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 22071.5682 20036.2372 5729.7527 186.7202 -338123.1805 23276.2481 0.0000 0.0000 44417.5459 -222405.1083 161.5788 -266822.6541 -222059.4776 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5484 19860.0409 5730.3487 190.1146 -338361.1712 23313.2040 0.0000 0.0000 44502.6964 -222409.2182 161.8886 -266911.9146 -222050.0863 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6117 19664.5348 5729.4854 192.9412 -338090.1528 23327.1563 0.0000 0.0000 44880.6319 -222441.7917 163.2634 -267322.4235 -222049.7759 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3314 19487.0720 5727.6164 194.9329 -337369.3145 23320.0153 0.0000 0.0000 45118.1106 -222457.2357 164.1273 -267575.3463 -222048.5999 164.1273 -2448.1648 -2220.3532 921491.4634 -2448.1648 -2220.3532
ENERGY: 444 20449.3361 19357.2686 5725.4095 195.8735 -336464.1920 23301.5271 0.0000 0.0000 44987.7177 -222447.0594 163.6530 -267434.7771 -222057.9803 163.6530 -2090.2100 -2206.4401 921491.4634 -2090.2100 -2206.4401
ENERGY: 445 20125.5606 19307.2514 5723.6513 195.6942 -335759.3912 23283.8134 0.0000 0.0000 44708.7156 -222414.7047 162.6380 -267123.4204 -222046.5434 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6804 19324.9002 5722.5429 194.3235 -335494.5708 23276.0447 0.0000 0.0000 44620.2947 -222408.7845 162.3164 -267029.0792 -222046.1626 162.3164 -1800.7520 -2216.7296 921491.4634 -1800.7520 -2216.7296
ENERGY: 447 19914.2849 19416.0206 5722.2107 191.8641 -335769.4402 23282.7454 0.0000 0.0000 44816.5089 -222425.8056 163.0301 -267242.3145 -222046.8349 163.0301 -1993.3116 -2253.0605 921491.4634 -1993.3116 -2253.0605
ENERGY: 448 20187.5922 19583.6797 5722.5764 188.5554 -336503.1802 23303.8900 0.0000 0.0000 45065.6676 -222451.2188 163.9365 -267516.8864 -222059.3484 163.9365 -2372.1881 -2303.7899 921491.4634 -2372.1881 -2303.7899
ENERGY: 449 20877.4060 19832.6984 5723.5712 184.8596 -337500.9075 23334.5920 0.0000 0.0000 45101.1680 -222446.6123 164.0657 -267547.7803 -222047.7103 164.0657 -2827.1083 -2356.1408 921491.4634 -2827.1083 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1299 5724.4776 181.0897 -338419.3254 23364.6240 0.0000 0.0000 44854.3099 -222432.2090 163.1677 -267286.5189 -222048.7864 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
ENERGY: 451 22355.5902 20357.7255 5724.7143 177.6517 -338952.0914 23381.8005 0.0000 0.0000 44542.6988 -222411.9104 162.0341 -266954.6092 -222048.8249 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2014 20536.0136 5723.8953 174.8859 -338927.1545 23378.0943 0.0000 0.0000 44452.9196 -222415.1444 161.7075 -266868.0640 -222059.6375 161.7075 -2659.9605 -2384.7569 921491.4634 -2659.9605 -2384.7569
ENERGY: 453 21399.8725 20641.1313 5722.2878 173.1350 -338392.7942 23354.5907 0.0000 0.0000 44683.7033 -222418.0735 162.5470 -267101.7768 -222043.5377 162.5470 -2048.3338 -2342.4668 921491.4634 -2048.3338 -2342.4668
ENERGY: 454 20248.3379 20654.1376 5720.2217 172.3637 -337567.1423 23320.6902 0.0000 0.0000 45008.1464 -222443.2447 163.7273 -267451.3911 -222041.8396 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7905 20584.7123 5718.4844 172.5169 -336790.6461 23290.4025 0.0000 0.0000 45086.5787 -222451.1608 164.0126 -267537.7395 -222040.8575 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3722 20440.6803 5717.7555 173.4248 -336350.1084 23274.9634 0.0000 0.0000 44811.4722 -222438.4400 163.0118 -267249.9122 -222055.3490 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4930 20251.9437 5718.5580 174.9241 -336395.8173 23277.8278 0.0000 0.0000 44521.8700 -222403.2007 161.9583 -266925.0707 -222049.4137 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8436 20019.2724 5720.7060 176.6081 -336835.0967 23294.7177 0.0000 0.0000 44632.7884 -222405.1604 162.3618 -267037.9488 -222051.2827 162.3618 -2684.6988 -2301.0426 921491.4634 -2684.6988 -2301.0426
ENERGY: 459 20903.4945 19784.9690 5724.0021 178.1985 -337468.1650 23318.6989 0.0000 0.0000 45113.9363 -222444.8657 164.1121 -267558.8020 -222053.1416 164.1121 -3350.5832 -2341.5795 921491.4634 -3350.5832 -2341.5795
TIMING: 460 CPU: 215.936, 0.457888/step Wall: 215.936, 0.457888/step, 0.00508764 hours remaining, 3224.144531 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 21262.6138 19597.9063 5728.0971 179.4910 -338014.3771 23341.8008 0.0000 0.0000 45423.8561 -222480.6120 165.2395 -267904.4681 -222064.6839 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8763 19507.1074 5732.5753 180.4333 -338251.6218 23355.3942 0.0000 0.0000 45154.6131 -222458.6223 164.2601 -267613.2354 -222058.0510 164.2601 -3556.1665 -2361.1798 921491.4634 -3556.1665 -2361.1798
ENERGY: 462 22264.2256 19487.8106 5736.4823 180.9531 -337988.7171 23351.1094 0.0000 0.0000 44559.9283 -222408.2078 162.0968 -266968.1361 -222056.7217 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1790 19513.9012 5738.9361 181.1160 -337284.1028 23326.9486 0.0000 0.0000 44313.4563 -222388.5655 161.2002 -266702.0219 -222054.6245 161.2002 -2012.4421 -2264.0777 921491.4634 -2012.4421 -2264.0777
ENERGY: 464 20535.2457 19559.9269 5739.2518 181.0096 -336389.3841 23291.1951 0.0000 0.0000 44654.0261 -222428.7288 162.4391 -267082.7550 -222058.5733 162.4391 -1050.9223 -2205.5266 921491.4634 -1050.9223 -2205.5266
ENERGY: 465 19322.7825 19631.8850 5737.2899 180.7155 -335701.1536 23259.7401 0.0000 0.0000 45094.5683 -222474.1724 164.0416 -267568.7406 -222052.9392 164.0416 -512.3343 -2174.4006 921491.4634 -512.3343 -2174.4006
ENERGY: 466 19088.4511 19708.3578 5733.2107 180.2808 -335443.7730 23245.0614 0.0000 0.0000 45020.7902 -222467.6210 163.7733 -267488.4113 -222052.9789 163.7733 -630.3312 -2182.6708 921491.4634 -630.3312 -2182.6708
ENERGY: 467 19841.8072 19783.1740 5727.6704 179.7757 -335721.0958 23249.4540 0.0000 0.0000 44523.6660 -222415.5486 161.9649 -266939.2146 -222054.3499 161.9649 -1393.6028 -2232.5922 921491.4634 -1393.6028 -2232.5922
ENERGY: 468 20761.8483 19845.4941 5721.5090 179.2779 -336451.5675 23265.8136 0.0000 0.0000 44291.6581 -222385.9666 161.1209 -266677.6247 -222056.3594 161.1209 -2508.6714 -2314.1338 921491.4634 -2508.6714 -2314.1338
ENERGY: 469 21236.3015 19910.2022 5715.6824 178.8504 -337458.3214 23284.3972 0.0000 0.0000 44720.3200 -222412.5675 162.6802 -267132.8876 -222046.0753 162.6802 -3596.7406 -2405.7971 921491.4634 -3596.7406 -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 -338383.2521 23297.0684 0.0000 0.0000 45346.4573 -222466.1159 164.9579 -267812.5732 -222047.6091 164.9579 -4259.6995 -2477.6829 921491.4634 -4259.6995 -2477.6829
ENERGY: 471 21732.8678 20054.6838 5707.9626 178.5890 -338913.2467 23297.5096 0.0000 0.0000 45471.3365 -222470.2973 165.4122 -267941.6338 -222047.5362 165.4122 -4290.5682 -2504.3173 921491.4634 -4290.5682 -2504.3173
ENERGY: 472 22081.2361 20161.5555 5707.0091 178.9047 -338870.6786 23279.4503 0.0000 0.0000 45028.5295 -222433.9934 163.8014 -267462.5229 -222059.5062 163.8014 -3659.7358 -2479.9182 921491.4634 -3659.7358 -2479.9182
ENERGY: 473 21866.1362 20289.3430 5707.9843 179.6165 -338307.7211 23240.7375 0.0000 0.0000 44634.5174 -222389.3863 162.3681 -267023.9037 -222043.8544 162.3681 -2556.3613 -2408.1656 921491.4634 -2556.3613 -2408.1656
ENERGY: 474 20842.9703 20372.0989 5710.2160 180.7466 -337438.4573 23189.2359 0.0000 0.0000 44733.2309 -222409.9586 162.7272 -267143.1895 -222041.2624 162.7272 -1295.5521 -2316.2727 921491.4634 -1295.5521 -2316.2727
ENERGY: 475 19674.2080 20371.7677 5712.9876 182.2512 -336604.2334 23142.3828 0.0000 0.0000 45070.2141 -222450.4220 163.9531 -267520.6362 -222039.4534 163.9531 -344.6446 -2232.2124 921491.4634 -344.6446 -2232.2124
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0922 23115.8477 0.0000 0.0000 45106.0635 -222460.5862 164.0835 -267566.6497 -222053.6139 164.0835 -92.4047 -2183.0650 921491.4634 -92.4047 -2183.0650
ENERGY: 477 19704.7252 20145.9814 5718.4976 185.9230 -336101.8807 23114.2949 0.0000 0.0000 44812.3209 -222420.1376 163.0149 -267232.4585 -222044.8412 163.0149 -667.4945 -2171.8226 921491.4634 -667.4945 -2171.8226
ENERGY: 478 20493.4777 19974.7638 5721.0254 187.7262 -336537.4051 23131.2470 0.0000 0.0000 44627.0335 -222402.1316 162.3409 -267029.1650 -222047.4108 162.3409 -1807.1603 -2198.7953 921491.4634 -1807.1603 -2198.7953
ENERGY: 479 21125.3057 19793.3955 5723.3295 189.2099 -337215.5850 23156.6781 0.0000 0.0000 44802.1580 -222425.5084 162.9779 -267227.6664 -222050.5461 162.9779 -3089.8515 -2246.7915 921491.4634 -3089.8515 -2246.7915
TIMING: 480 CPU: 225.094, 0.457879/step Wall: 225.094, 0.457879/step, 0.00254377 hours remaining, 3224.144531 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 19623.1962 5725.3111 190.1901 -337854.6794 23181.5126 0.0000 0.0000 45051.6816 -222458.7553 163.8856 -267510.4369 -222064.6212 163.8856 -4077.7325 -2291.4889 921491.4634 -4077.7325 -2291.4889
ENERGY: 481 22092.4854 19510.0429 5727.0952 190.6351 -338199.2487 23196.7966 0.0000 0.0000 45041.3369 -222440.8565 163.8480 -267482.1934 -222052.5268 163.8480 -4466.2392 -2305.6730 921491.4634 -4466.2392 -2305.6730
ENERGY: 482 22186.3467 19466.6790 5728.4964 190.3598 -338044.5422 23192.7481 0.0000 0.0000 44865.8521 -222414.0603 163.2096 -267279.9123 -222051.4115 163.2096 -4059.3095 -2278.0613 921491.4634 -4059.3095 -2278.0613
ENERGY: 483 21553.1412 19511.5740 5729.5660 189.3227 -337426.2188 23165.8746 0.0000 0.0000 44861.8972 -222414.8432 163.1953 -267276.7404 -222048.7674 163.1953 -2964.1719 -2216.4114 921491.4634 -2964.1719 -2216.4114
ENERGY: 484 20460.8924 19631.1935 5730.2465 187.5455 -336590.8889 23126.1356 0.0000 0.0000 45003.6034 -222451.2721 163.7107 -267454.8755 -222059.8746 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7721 19800.2988 5730.5256 185.2458 -335902.5871 23092.8474 0.0000 0.0000 44955.5725 -222449.3250 163.5360 -267404.8974 -222045.9610 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5429 19954.8174 5729.7197 182.4662 -335612.3573 23080.3811 0.0000 0.0000 44645.9114 -222416.5185 162.4096 -267062.4300 -222044.6764 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0928 20072.0212 5727.4347 179.4360 -335846.4487 23091.0546 0.0000 0.0000 44503.3491 -222392.0603 161.8910 -266895.4094 -222045.2411 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5457 23118.8618 0.0000 0.0000 44827.0556 -222425.3045 163.0685 -267252.3600 -222057.1942 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8871 20236.4610 5718.5748 173.8639 -337540.4659 23156.7311 0.0000 0.0000 45266.1004 -222461.8476 164.6656 -267727.9480 -222045.6089 164.6656 -2511.2407 -2316.7067 921491.4634 -2511.2407 -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 21410.7489 20292.9024 5712.8912 171.8438 -338458.1364 23196.4878 0.0000 0.0000 45213.5627 -222459.6996 164.4745 -267673.2624 -222048.2211 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4640 20312.1363 5707.3795 170.5404 -338984.5796 23226.0937 0.0000 0.0000 44733.0087 -222404.9571 162.7264 -267137.9658 -222049.4641 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9545 20289.6813 5702.9944 170.0208 -338937.5818 23232.7204 0.0000 0.0000 44542.1949 -222387.0154 162.0323 -266929.2103 -222060.3863 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2185 20260.7377 5700.7779 170.3200 -338358.0635 23214.0535 0.0000 0.0000 45033.8230 -222420.1329 163.8207 -267453.9559 -222046.5904 163.8207 -3796.3818 -2540.0997 921491.4634 -3796.3818 -2540.0997
ENERGY: 494 20068.3364 20225.0263 5700.9805 171.2193 -337454.3837 23183.0794 0.0000 0.0000 45622.2475 -222483.4943 165.9612 -268105.7418 -222044.0871 165.9612 -2500.8992 -2482.1070 921491.4634 -2500.8992 -2482.1070
ENERGY: 495 19383.2463 20186.8303 5703.5926 172.5416 -336566.9889 23159.4623 0.0000 0.0000 45484.1230 -222477.1928 165.4587 -267961.3158 -222041.5567 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4836 20130.6473 5708.0350 174.0933 -335998.7156 23154.2634 0.0000 0.0000 44699.5269 -222409.6660 162.6046 -267109.1929 -222049.0670 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6670 20059.9176 5713.4613 175.7242 -335952.5043 23166.3544 0.0000 0.0000 44261.0289 -222363.3510 161.0095 -266624.3799 -222042.7500 161.0095 -421.0232 -2316.7928 921491.4634 -421.0232 -2316.7928
ENERGY: 498 20182.0166 19957.1214 5718.5596 177.2604 -336366.4934 23189.3583 0.0000 0.0000 44728.2537 -222413.9233 162.7091 -267142.1771 -222044.5220 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0680 19847.7305 5722.4089 178.6361 -337058.4825 23219.2402 0.0000 0.0000 45439.2648 -222493.1339 165.2956 -267932.3987 -222047.2062 165.2956 -2020.8689 -2376.3390 921491.4634 -2020.8689 -2376.3390
Info: Benchmark time: 4 CPUs 0.457408 s/step 5.29407 days/ns 3224.14 MB memory
TIMING: 500 CPU: 234.179, 0.454233/step Wall: 234.179, 0.454233/step, 0 hours remaining, 3224.144531 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 20974.8940 19756.6578 5724.4523 179.8271 -337741.4193 23251.1007 0.0000 0.0000 45359.0782 -222495.4092 165.0039 -267854.4874 -222061.0910 165.0039 -3197.5169 -2425.4142 921491.4634 -3197.5169 -2425.4142
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.398 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.398 MB of memory in use
====================================================
WallClock: 241.338348 CPUTime: 241.338348 Memory: 3229.398438 MB
[Partition 0][Node 0] End of program
Application 1110071 resources: utime ~948s, stime ~19s, Rss ~127092, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.338348
CPU=241.338348
MEM=3229.398438
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 22:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 14 22:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 22:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 14 22:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189496 Dec 14 22:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 14 22:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 14 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 14 22:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 22:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 14 22:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 14 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 14 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 14 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 14 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 14 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/jenkins15786848561151751117.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}
