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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 ============== 54.7127
LDB: Largest compute 200 load 0.430238 is 1.2% of average load 36.934648
LDB: Average compute 0.051745 is 0.1% of average load 36.934648
LDB: Partitioning computes with target load 3.693465
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055828
LDB: ============== END OF LOAD BALANCING =============== 54.7148
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.7157
Info: Initial time: 4 CPUs 0.476858 s/step 5.51919 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.6631, 0.475968/step Wall: 48.6631, 0.475968/step, 0.0528854 hours remaining, 3221.593750 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 ============== 64.2141
LDB: ============== END OF LOAD BALANCING =============== 64.2142
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.2146
TIMING: 120 CPU: 58.1596, 0.474824/step Wall: 58.1596, 0.474824/step, 0.0501203 hours remaining, 3221.792969 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 21874.8524 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7057 -2927.3525 921491.4634 -2704.7057 -2927.3525
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TIMING: 140 CPU: 67.6508, 0.474561/step Wall: 67.6508, 0.474561/step, 0.0474561 hours remaining, 3221.925781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 77.1328, 0.474096/step Wall: 77.1328, 0.474096/step, 0.0447757 hours remaining, 3222.257812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8124 18508.1493 5697.2826 183.0024 -333202.6496 20887.8857 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
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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 18733.9560 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.602, 0.47346/step Wall: 86.602, 0.47346/step, 0.0420853 hours remaining, 3222.257812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7399 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8537 -2802.0866 921491.4634 -3641.8537 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3007 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2863 -222391.0320 159.7372 -266302.3183 -222090.4391 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 102.126
LDB: Largest compute 200 load 0.424842 is 1.2% of average load 36.749338
LDB: Average compute 0.051479 is 0.1% of average load 36.749338
LDB: TIME 102.128 LOAD: AVG 36.7493 MAX 37.9117 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 102.13 LOAD: AVG 36.7493 MAX 37.7136 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 102.132
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.135
Info: Initial time: 4 CPUs 0.474044 s/step 5.48663 days/ns 3223.7 MB memory
TIMING: 200 CPU: 96.0774, 0.47377/step Wall: 96.0774, 0.47377/step, 0.0394809 hours remaining, 3223.703125 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 20743.8943 19130.0390 5729.2400 192.0764 -333501.9369 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6425 160.2771 -1046.8255 -2512.4434 921491.4634 -1046.8255 -2512.4434
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4718 -222628.9811 165.9875 -268258.4529 -222116.7004 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6269 -222472.1868 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
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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 20194.2568 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4332 -222516.0283 164.6123 -267767.4616 -222108.2018 164.6123 -6091.3663 -2896.2628 921491.4634 -6091.3663 -2896.2628
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ENERGY: 212 23739.2707 19730.8222 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7030 156.4046 -265244.8668 -222104.2322 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2158 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7805 -222504.4450 165.2210 -267923.2256 -222097.3838 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4701 -222681.1888 170.8220 -269639.6590 -222093.7411 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3325 21379.5596 0.0000 0.0000 45302.6745 -222527.8920 164.7987 -267830.5665 -222091.0450 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0654 -2703.9746 921491.4634 -2628.0654 -2703.9746
ENERGY: 219 19429.8641 19413.3932 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9296 -222644.4007 166.4329 -268396.3303 -222073.1719 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 105.548, 0.473534/step Wall: 105.548, 0.473534/step, 0.0368305 hours remaining, 3223.703125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 115.011, 0.473145/step Wall: 115.011, 0.473145/step, 0.0341716 hours remaining, 3223.703125 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 22110.7714 20111.8208 5758.5348 169.0441 -335904.8191 21831.0567 0.0000 0.0000 43526.8719 -222396.7194 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1687 -2633.0912 921491.4634 -4623.1687 -2633.0912
ENERGY: 243 19462.3619 19969.6444 5749.3614 168.8705 -335233.7063 21770.4748 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4503 -2614.6991 921491.4634 -3760.4503 -2614.6991
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ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1206 21705.0850 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1843 21719.8454 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1356 21746.4311 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -2608.3065
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 0.0000 0.0000 43181.1613 -222297.2436 157.0812 -265478.4050 -222071.2738 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0358 -222060.1682 161.8371 -2035.5364 -2692.1442 921491.4634 -2035.5364 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2578 -222556.7760 166.5942 -268353.0338 -222062.0606 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 124.464, 0.47265/step Wall: 124.464, 0.47265/step, 0.03151 hours remaining, 3224.007812 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 19781.1227 20140.5621 5703.8103 187.9445 -335614.9709 21924.4739 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9508 21907.7771 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3170 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6630 21906.0162 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4576 21914.4804 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4237 -2662.6783 921491.4634 -2435.4237 -2662.6783
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7451 21959.1256 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2127 -2658.6181 921491.4634 -2903.2127 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9169 5690.3173 187.1618 -336650.6774 22028.8069 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5581 18896.0662 5692.8269 184.9335 -335921.4611 22015.0579 0.0000 0.0000 45607.7077 -222503.3108 165.9083 -268111.0185 -222081.1570 165.9083 -2551.9681 -2501.8804 921491.4634 -2551.9681 -2501.8804
ENERGY: 273 20123.2134 18932.9081 5697.5118 183.8526 -334925.7009 21985.5295 0.0000 0.0000 45502.7162 -222499.9693 165.5264 -268002.6855 -222069.0456 165.5264 -1837.1973 -2434.6760 921491.4634 -1837.1973 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7547 -2498.0545 921491.4634 -2311.7547 -2498.0545
ENERGY: 278 20199.4579 19713.7759 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8159 -2593.7697 921491.4634 -3254.8159 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5799 22096.4198 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8157 -222065.2022 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.902, 0.471881/step Wall: 133.902, 0.471881/step, 0.0288372 hours remaining, 3224.007812 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 -336752.6629 22145.1353 0.0000 0.0000 44066.7338 -222367.6418 160.3027 -266434.3756 -222073.4246 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7896 19615.5378 5669.9796 186.8360 -336942.5030 22176.7653 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5947 -222063.3315 166.6927 -2992.3269 -2779.3668 921491.4634 -2992.3269 -2779.3668
ENERGY: 283 20432.1059 19966.6614 5678.8137 187.1634 -336251.9197 22171.0647 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1106 -222060.8458 164.8939 -2008.7734 -2748.2306 921491.4634 -2008.7734 -2748.2306
ENERGY: 284 20506.3998 20401.8822 5692.0830 187.1346 -335412.6298 22166.2909 0.0000 0.0000 44071.4480 -222387.3914 160.3198 -266458.8394 -222061.5539 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2631 -222354.5544 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5623 5721.5031 185.8229 -334658.1149 22176.6862 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1481 22200.2909 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3148 22237.9036 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9051 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -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 ============== 149.413
LDB: Largest compute 200 load 0.525319 is 1.1% of average load 45.909922
LDB: Average compute 0.064324 is 0.1% of average load 45.909922
LDB: TIME 149.415 LOAD: AVG 45.9099 MAX 47.274 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.36 MB
LDB: TIME 149.416 LOAD: AVG 45.9099 MAX 47.274 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.36 MB
LDB: TIME 149.432 LOAD: AVG 45.9099 MAX 46.4256 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.36 MB
LDB: ============== END OF LOAD BALANCING =============== 149.433
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.435
Info: Initial time: 4 CPUs 0.472452 s/step 5.4682 days/ns 3224.36 MB memory
TIMING: 300 CPU: 143.345, 0.472158/step Wall: 143.345, 0.472158/step, 0.026231 hours remaining, 3224.363281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.564, 0.46094/step Wall: 152.564, 0.46094/step, 0.023047 hours remaining, 3224.363281 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: 161.779, 0.460781/step Wall: 161.779, 0.460781/step, 0.0204792 hours remaining, 3224.363281 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: 170.989, 0.460473/step Wall: 170.989, 0.460473/step, 0.0179073 hours remaining, 3224.363281 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: 380 CPU: 180.192, 0.460162/step Wall: 180.192, 0.460162/step, 0.0153387 hours remaining, 3224.363281 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: 386 19981.2274 19220.9466 5707.6637 175.9384 -334865.1820 22880.7954 0.0000 0.0000 44519.8589 -222378.7516 161.9510 -266898.6105 -222051.0438 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2861 19202.4846 5710.9354 174.6759 -335109.8730 22905.2741 0.0000 0.0000 44377.1819 -222372.0349 161.4320 -266749.2168 -222053.0050 161.4320 -738.9587 -2019.1689 921491.4634 -738.9587 -2019.1689
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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 ============== 195.497
LDB: Largest compute 230 load 0.529142 is 1.2% of average load 45.839472
LDB: Average compute 0.064200 is 0.1% of average load 45.839472
LDB: TIME 195.498 LOAD: AVG 45.8395 MAX 46.0621 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.36 MB
LDB: TIME 195.499 LOAD: AVG 45.8395 MAX 46.0621 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.36 MB
LDB: TIME 195.499 LOAD: AVG 45.8395 MAX 46.0621 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.36 MB
LDB: ============== END OF LOAD BALANCING =============== 195.5
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.501
Info: Benchmark time: 4 CPUs 0.460554 s/step 5.33049 days/ns 3224.36 MB memory
TIMING: 400 CPU: 189.404, 0.460618/step Wall: 189.404, 0.460618/step, 0.0127949 hours remaining, 3224.363281 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 20661.9895 5710.0857 195.6954 -336157.5857 23063.1719 0.0000 0.0000 44200.2846 -222384.0418 160.7885 -266584.3264 -222052.9641 160.7885 -282.7611 -2224.6895 921491.4634 -282.7611 -2224.6895
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ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6536 -336970.7863 23098.6728 0.0000 0.0000 44915.1419 -222450.9776 163.3889 -267366.1194 -222046.7090 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
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TIMING: 420 CPU: 198.576, 0.458591/step Wall: 198.576, 0.458591/step, 0.0101909 hours remaining, 3224.363281 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: 427 19598.5315 19595.2898 5707.1504 168.7509 -335498.4321 23074.5004 0.0000 0.0000 44915.2781 -222438.9310 163.3894 -267354.2091 -222048.7338 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4229 19760.4171 5710.4628 168.5259 -336199.9857 23087.7674 0.0000 0.0000 44884.2600 -222448.1296 163.2766 -267332.3896 -222058.0549 163.2766 -935.5735 -2206.9585 921491.4634 -935.5735 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3739 5712.1700 168.1897 -338096.9210 23149.4490 0.0000 0.0000 44626.3104 -222402.4406 162.3383 -267028.7510 -222047.3915 162.3383 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
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ENERGY: 432 21768.3703 20188.6725 5710.3546 168.1086 -338651.2105 23176.0844 0.0000 0.0000 45177.9916 -222461.6285 164.3451 -267639.6201 -222065.9058 164.3451 -3350.2742 -2296.1499 921491.4634 -3350.2742 -2296.1499
ENERGY: 433 21200.9071 20275.9664 5710.3763 168.4633 -338164.0640 23162.2909 0.0000 0.0000 45192.9289 -222453.1311 164.3995 -267646.0600 -222052.5982 164.3995 -3187.3732 -2272.1277 921491.4634 -3187.3732 -2272.1277
ENERGY: 434 20730.3412 20338.1499 5711.6061 169.3247 -337394.2706 23140.7734 0.0000 0.0000 44883.1002 -222420.9751 163.2724 -267304.0754 -222051.1462 163.2724 -2694.3106 -2227.7886 921491.4634 -2694.3106 -2227.7886
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6557 23123.4097 0.0000 0.0000 44675.9844 -222398.7944 162.5190 -267074.7788 -222049.5888 162.5190 -2061.3581 -2179.8952 921491.4634 -2061.3581 -2179.8952
ENERGY: 436 19670.9242 20349.9980 5717.2345 173.0864 -336303.8814 23119.9079 0.0000 0.0000 44847.0988 -222425.6317 163.1414 -267272.7305 -222059.6959 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5516 20329.5090 5720.9893 175.9827 -336411.9787 23136.3870 0.0000 0.0000 45159.2690 -222455.2901 164.2770 -267614.5591 -222050.7503 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1533 20278.6093 5724.6883 179.3848 -336899.4579 23173.5522 0.0000 0.0000 45148.1325 -222459.9373 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0942 -2145.0880 921491.4634 -1493.0942 -2145.0880
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TIMING: 440 CPU: 207.759, 0.459125/step Wall: 207.759, 0.459125/step, 0.00765209 hours remaining, 3224.363281 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 22071.5685 20036.2369 5729.7527 186.7201 -338123.1809 23276.2490 0.0000 0.0000 44417.5458 -222405.1079 161.5788 -266822.6537 -222059.4773 161.5788 -2408.4613 -2197.9670 921491.4634 -2408.4613 -2197.9670
ENERGY: 441 22355.5486 19860.0406 5730.3487 190.1146 -338361.1717 23313.2050 0.0000 0.0000 44502.6963 -222409.2179 161.8886 -266911.9142 -222050.0860 161.8886 -2716.1027 -2221.5312 921491.4634 -2716.1027 -2221.5312
ENERGY: 442 21853.6117 19664.5346 5729.4854 192.9411 -338090.1534 23327.1573 0.0000 0.0000 44880.6319 -222441.7914 163.2634 -267322.4233 -222049.7755 163.2634 -2710.5574 -2229.0695 921491.4634 -2710.5574 -2229.0695
ENERGY: 443 21064.3315 19487.0719 5727.6164 194.9329 -337369.3151 23320.0163 0.0000 0.0000 45118.1106 -222457.2354 164.1273 -267575.3460 -222048.5996 164.1273 -2448.1645 -2220.3529 921491.4634 -2448.1645 -2220.3529
ENERGY: 444 20449.3362 19357.2687 5725.4095 195.8735 -336464.1923 23301.5282 0.0000 0.0000 44987.7175 -222447.0587 163.6530 -267434.7762 -222057.9796 163.6530 -2090.2095 -2206.4397 921491.4634 -2090.2095 -2206.4397
ENERGY: 445 20125.5607 19307.2516 5723.6513 195.6942 -335759.3916 23283.8145 0.0000 0.0000 44708.7153 -222414.7041 162.6380 -267123.4194 -222046.5427 162.6380 -1846.9622 -2201.6923 921491.4634 -1846.9622 -2201.6923
ENERGY: 446 19947.6804 19324.9005 5722.5430 194.3235 -335494.5713 23276.0457 0.0000 0.0000 44620.2944 -222408.7838 162.3164 -267029.0782 -222046.1619 162.3164 -1800.7514 -2216.7291 921491.4634 -1800.7514 -2216.7291
ENERGY: 447 19914.2849 19416.0210 5722.2107 191.8642 -335769.4407 23282.7465 0.0000 0.0000 44816.5086 -222425.8049 163.0301 -267242.3135 -222046.8342 163.0301 -1993.3110 -2253.0600 921491.4634 -1993.3110 -2253.0600
ENERGY: 448 20187.5924 19583.6801 5722.5764 188.5554 -336503.1809 23303.8911 0.0000 0.0000 45065.6672 -222451.2184 163.9365 -267516.8855 -222059.3479 163.9365 -2372.1878 -2303.7896 921491.4634 -2372.1878 -2303.7896
ENERGY: 449 20877.4063 19832.6987 5723.5712 184.8596 -337500.9081 23334.5930 0.0000 0.0000 45101.1675 -222446.6118 164.0657 -267547.7793 -222047.7098 164.0657 -2827.1081 -2356.1404 921491.4634 -2827.1081 -2356.1404
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1300 5724.4776 181.0898 -338419.3258 23364.6249 0.0000 0.0000 44854.3095 -222432.2085 163.1677 -267286.5180 -222048.7859 163.1677 -3116.6755 -2394.3893 921491.4634 -3116.6755 -2394.3893
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0915 23381.8013 0.0000 0.0000 44542.6986 -222411.9099 162.0341 -266954.6085 -222048.8244 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2013 20536.0133 5723.8953 174.8859 -338927.1545 23378.0950 0.0000 0.0000 44452.9196 -222415.1441 161.7075 -266868.0637 -222059.6372 161.7075 -2659.9603 -2384.7567 921491.4634 -2659.9603 -2384.7567
ENERGY: 453 21399.8724 20641.1309 5722.2878 173.1350 -338392.7939 23354.5913 0.0000 0.0000 44683.7033 -222418.0731 162.5470 -267101.7764 -222043.5373 162.5470 -2048.3335 -2342.4667 921491.4634 -2048.3335 -2342.4667
ENERGY: 454 20248.3379 20654.1372 5720.2217 172.3637 -337567.1419 23320.6907 0.0000 0.0000 45008.1464 -222443.2443 163.7273 -267451.3907 -222041.8392 163.7273 -1453.4576 -2293.1449 921491.4634 -1453.4576 -2293.1449
ENERGY: 455 19486.7904 20584.7119 5718.4844 172.5169 -336790.6456 23290.4029 0.0000 0.0000 45086.5787 -222451.1604 164.0126 -267537.7391 -222040.8571 164.0126 -1151.8822 -2255.8571 921491.4634 -1151.8822 -2255.8571
ENERGY: 456 19493.3720 20440.6799 5717.7556 173.4248 -336350.1080 23274.9637 0.0000 0.0000 44811.4724 -222438.4396 163.0118 -267249.9120 -222055.3487 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8170 23277.8280 0.0000 0.0000 44521.8703 -222403.2003 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4165 -2263.5011 921491.4634 -1906.4165 -2263.5011
ENERGY: 458 20585.8437 20019.2722 5720.7060 176.6081 -336835.0965 23294.7178 0.0000 0.0000 44632.7886 -222405.1600 162.3618 -267037.9486 -222051.2823 162.3618 -2684.6989 -2301.0426 921491.4634 -2684.6989 -2301.0426
ENERGY: 459 20903.4949 19784.9689 5724.0021 178.1985 -337468.1649 23318.6987 0.0000 0.0000 45113.9365 -222444.8653 164.1121 -267558.8018 -222053.1412 164.1121 -3350.5833 -2341.5795 921491.4634 -3350.5833 -2341.5795
TIMING: 460 CPU: 216.944, 0.459296/step Wall: 216.944, 0.459296/step, 0.00510329 hours remaining, 3224.363281 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 21262.6141 19597.9063 5728.0971 179.4910 -338014.3769 23341.8005 0.0000 0.0000 45423.8564 -222480.6114 165.2395 -267904.4679 -222064.6834 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8763 19507.1074 5732.5752 180.4333 -338251.6216 23355.3938 0.0000 0.0000 45154.6138 -222458.6217 164.2601 -267613.2355 -222058.0505 164.2601 -3556.1665 -2361.1798 921491.4634 -3556.1665 -2361.1798
ENERGY: 462 22264.2255 19487.8108 5736.4822 180.9531 -337988.7169 23351.1089 0.0000 0.0000 44559.9292 -222408.2072 162.0968 -266968.1364 -222056.7212 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1790 19513.9015 5738.9361 181.1160 -337284.1026 23326.9480 0.0000 0.0000 44313.4571 -222388.5650 161.2002 -266702.0221 -222054.6240 161.2002 -2012.4421 -2264.0777 921491.4634 -2012.4421 -2264.0777
ENERGY: 464 20535.2458 19559.9273 5739.2518 181.0096 -336389.3843 23291.1943 0.0000 0.0000 44654.0267 -222428.7287 162.4391 -267082.7554 -222058.5731 162.4391 -1050.9225 -2205.5269 921491.4634 -1050.9225 -2205.5269
ENERGY: 465 19322.7825 19631.8856 5737.2898 180.7155 -335701.1538 23259.7393 0.0000 0.0000 45094.5688 -222474.1722 164.0416 -267568.7410 -222052.9390 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4510 19708.3584 5733.2107 180.2808 -335443.7733 23245.0605 0.0000 0.0000 45020.7909 -222467.6209 163.7733 -267488.4118 -222052.9788 163.7733 -630.3315 -2182.6712 921491.4634 -630.3315 -2182.6712
ENERGY: 467 19841.8071 19783.1746 5727.6704 179.7757 -335721.0960 23249.4531 0.0000 0.0000 44523.6667 -222415.5485 161.9649 -266939.2152 -222054.3497 161.9649 -1393.6033 -2232.5926 921491.4634 -1393.6033 -2232.5926
ENERGY: 468 20761.8485 19845.4946 5721.5089 179.2779 -336451.5675 23265.8126 0.0000 0.0000 44291.6588 -222385.9662 161.1209 -266677.6250 -222056.3590 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3019 19910.2024 5715.6824 178.8504 -337458.3211 23284.3962 0.0000 0.0000 44720.3208 -222412.5671 162.6802 -267132.8879 -222046.0749 162.6802 -3596.7410 -2405.7973 921491.4634 -3596.7410 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8936 5710.9491 178.5947 -338383.2517 23297.0673 0.0000 0.0000 45346.4582 -222466.1155 164.9580 -267812.5737 -222047.6088 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8678 20054.6837 5707.9626 178.5890 -338913.2461 23297.5085 0.0000 0.0000 45471.3375 -222470.2970 165.4122 -267941.6345 -222047.5358 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2361 20161.5553 5707.0091 178.9047 -338870.6777 23279.4491 0.0000 0.0000 45028.5305 -222433.9929 163.8014 -267462.5234 -222059.5058 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1362 20289.3428 5707.9843 179.6165 -338307.7200 23240.7363 0.0000 0.0000 44634.5181 -222389.3858 162.3681 -267023.9039 -222043.8539 162.3681 -2556.3615 -2408.1659 921491.4634 -2556.3615 -2408.1659
ENERGY: 474 20842.9704 20372.0988 5710.2160 180.7466 -337438.4561 23189.2348 0.0000 0.0000 44733.2314 -222409.9581 162.7272 -267143.1894 -222041.2619 162.7272 -1295.5524 -2316.2729 921491.4634 -1295.5524 -2316.2729
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2323 23142.3818 0.0000 0.0000 45070.2146 -222450.4216 163.9531 -267520.6361 -222039.4529 163.9531 -344.6449 -2232.2127 921491.4634 -344.6449 -2232.2127
ENERGY: 476 19235.7863 20282.0275 5715.7683 184.0125 -336100.0911 23115.8467 0.0000 0.0000 45106.0640 -222460.5858 164.0835 -267566.6498 -222053.6135 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7252 20145.9813 5718.4976 185.9230 -336101.8797 23114.2940 0.0000 0.0000 44812.3214 -222420.1372 163.0149 -267232.4586 -222044.8408 163.0149 -667.4948 -2171.8229 921491.4634 -667.4948 -2171.8229
ENERGY: 478 20493.4780 19974.7637 5721.0254 187.7262 -336537.4043 23131.2461 0.0000 0.0000 44627.0338 -222402.1312 162.3409 -267029.1650 -222047.4104 162.3409 -1807.1607 -2198.7957 921491.4634 -1807.1607 -2198.7957
ENERGY: 479 21125.3061 19793.3954 5723.3295 189.2099 -337215.5844 23156.6772 0.0000 0.0000 44802.1583 -222425.5080 162.9779 -267227.6663 -222050.5457 162.9779 -3089.8518 -2246.7918 921491.4634 -3089.8518 -2246.7918
TIMING: 480 CPU: 226.127, 0.459145/step Wall: 226.127, 0.459145/step, 0.00255081 hours remaining, 3224.363281 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 21624.0329 19623.1963 5725.3111 190.1901 -337854.6788 23181.5118 0.0000 0.0000 45051.6819 -222458.7547 163.8856 -267510.4366 -222064.6206 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4854 19510.0432 5727.0952 190.6351 -338199.2481 23196.7959 0.0000 0.0000 45041.3372 -222440.8560 163.8480 -267482.1931 -222052.5262 163.8480 -4466.2393 -2305.6731 921491.4634 -4466.2393 -2305.6731
ENERGY: 482 22186.3468 19466.6795 5728.4963 190.3598 -338044.5417 23192.7475 0.0000 0.0000 44865.8522 -222414.0597 163.2096 -267279.9119 -222051.4109 163.2096 -4059.3095 -2278.0613 921491.4634 -4059.3095 -2278.0613
ENERGY: 483 21553.1412 19511.5747 5729.5660 189.3227 -337426.2183 23165.8740 0.0000 0.0000 44861.8970 -222414.8426 163.1953 -267276.7396 -222048.7669 163.1953 -2964.1719 -2216.4114 921491.4634 -2964.1719 -2216.4114
ENERGY: 484 20460.8924 19631.1943 5730.2465 187.5455 -336590.8881 23126.1351 0.0000 0.0000 45003.6032 -222451.2712 163.7107 -267454.8744 -222059.8737 163.7107 -1565.2421 -2143.1849 921491.4634 -1565.2421 -2143.1849
ENERGY: 485 19688.7719 19800.2996 5730.5256 185.2458 -335902.5865 23092.8470 0.0000 0.0000 44955.5726 -222449.3241 163.5360 -267404.8967 -222045.9601 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5427 19954.8181 5729.7197 182.4662 -335612.3569 23080.3807 0.0000 0.0000 44645.9118 -222416.5177 162.4096 -267062.4295 -222044.6756 162.4096 87.3182 -2070.0981 921491.4634 87.3182 -2070.0981
ENERGY: 487 19881.0928 20072.0218 5727.4347 179.4360 -335846.4487 23091.0544 0.0000 0.0000 44503.3495 -222392.0595 161.8910 -266895.4090 -222045.2402 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2103 20156.1366 5723.5441 176.4338 -336552.5461 23118.8616 0.0000 0.0000 44827.0560 -222425.3038 163.0685 -267252.3598 -222057.1936 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8876 20236.4613 5718.5748 173.8639 -337540.4665 23156.7309 0.0000 0.0000 45266.1010 -222461.8470 164.6656 -267727.9480 -222045.6083 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -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 21410.7493 20292.9025 5712.8912 171.8438 -338458.1371 23196.4877 0.0000 0.0000 45213.5636 -222459.6990 164.4745 -267673.2626 -222048.2205 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4642 20312.1364 5707.3795 170.5404 -338984.5802 23226.0936 0.0000 0.0000 44733.0096 -222404.9565 162.7264 -267137.9661 -222049.4635 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9548 20289.6814 5702.9944 170.0207 -338937.5824 23232.7204 0.0000 0.0000 44542.1956 -222387.0150 162.0323 -266929.2106 -222060.3859 162.0323 -4606.8524 -2557.4731 921491.4634 -4606.8524 -2557.4731
ENERGY: 493 21558.2188 20260.7377 5700.7779 170.3200 -338358.0639 23214.0536 0.0000 0.0000 45033.8234 -222420.1325 163.8207 -267453.9558 -222046.5899 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3365 20225.0264 5700.9805 171.2193 -337454.3839 23183.0795 0.0000 0.0000 45622.2479 -222483.4938 165.9612 -268105.7417 -222044.0866 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8303 5703.5926 172.5416 -336566.9890 23159.4625 0.0000 0.0000 45484.1236 -222477.1924 165.4587 -267961.3159 -222041.5562 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6473 5708.0350 174.0933 -335998.7158 23154.2636 0.0000 0.0000 44699.5276 -222409.6657 162.6046 -267109.1932 -222049.0667 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6669 20059.9175 5713.4613 175.7242 -335952.5046 23166.3547 0.0000 0.0000 44261.0294 -222363.3507 161.0095 -266624.3801 -222042.7497 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0169 19957.1213 5718.5596 177.2604 -336366.4939 23189.3588 0.0000 0.0000 44728.2539 -222413.9230 162.7091 -267142.1769 -222044.5216 162.7091 -993.4680 -2331.6472 921491.4634 -993.4680 -2331.6472
ENERGY: 499 20158.0683 19847.7306 5722.4089 178.6361 -337058.4831 23219.2407 0.0000 0.0000 45439.2648 -222493.1336 165.2956 -267932.3984 -222047.2059 165.2956 -2020.8689 -2376.3390 921491.4634 -2020.8689 -2376.3390
Info: Benchmark time: 4 CPUs 0.458297 s/step 5.30436 days/ns 3224.36 MB memory
TIMING: 500 CPU: 235.234, 0.455336/step Wall: 235.234, 0.455336/step, 0 hours remaining, 3224.363281 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 20974.8941 19756.6582 5724.4523 179.8271 -337741.4203 23251.1013 0.0000 0.0000 45359.0782 -222495.4091 165.0039 -267854.4873 -222061.0909 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, 3229.656 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.656 MB of memory in use
====================================================
WallClock: 242.217697 CPUTime: 242.217697 Memory: 3229.656250 MB
[Partition 0][Node 0] End of program
Application 1111513 resources: utime ~952s, stime ~19s, Rss ~127404, inblocks ~66551, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.217697
CPU=242.217697
MEM=3229.656250
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 10:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 19 10:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 10:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 19 10:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189485 Dec 19 10:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 19 10:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 19 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 19 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 19 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 19 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 19 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 19 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 19 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 19 10:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins14651235068025899417.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}
