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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 ============== 54.5064
LDB: Largest compute 200 load 0.428845 is 1.2% of average load 36.857617
LDB: Average compute 0.051634 is 0.1% of average load 36.857617
LDB: Partitioning computes with target load 3.685762
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056038
LDB: ============== END OF LOAD BALANCING =============== 54.5085
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5094
Info: Initial time: 4 CPUs 0.473924 s/step 5.48523 days/ns 3221.61 MB memory
TIMING: 100 CPU: 48.363, 0.472942/step Wall: 48.363, 0.472942/step, 0.0525492 hours remaining, 3221.605469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.949
LDB: ============== END OF LOAD BALANCING =============== 63.949
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9495
TIMING: 120 CPU: 57.8027, 0.471987/step Wall: 57.8027, 0.471987/step, 0.0498208 hours remaining, 3221.835938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.2337, 0.471546/step Wall: 67.2337, 0.471546/step, 0.0471546 hours remaining, 3222.027344 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: 76.6564, 0.471139/step Wall: 76.6564, 0.471139/step, 0.0444965 hours remaining, 3222.191406 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: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.0683, 0.470594/step Wall: 86.0683, 0.470594/step, 0.0418306 hours remaining, 3222.332031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0937 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 19471.4303 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9080 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 ============== 101.628
LDB: Largest compute 200 load 0.423491 is 1.2% of average load 36.680784
LDB: Average compute 0.051377 is 0.1% of average load 36.680784
LDB: TIME 101.63 LOAD: AVG 36.6808 MAX 37.6781 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.67 MB
LDB: TIME 101.632 LOAD: AVG 36.6808 MAX 37.5325 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.67 MB
LDB: ============== END OF LOAD BALANCING =============== 101.634
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.637
Info: Initial time: 4 CPUs 0.471138 s/step 5.45299 days/ns 3223.16 MB memory
TIMING: 200 CPU: 95.4868, 0.470923/step Wall: 95.4868, 0.470923/step, 0.0392436 hours remaining, 3223.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6985 -222431.1634 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
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ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8136 -222122.6315 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -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 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4333 -222516.0283 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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ENERGY: 212 23739.2710 19730.8222 5710.0296 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1636 -222249.7027 156.4046 -265244.8663 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6442 21380.5552 0.0000 0.0000 45418.7804 -222504.4448 165.2210 -267923.2252 -222097.3836 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3934 21358.4486 0.0000 0.0000 46958.4701 -222681.1886 170.8220 -269639.6587 -222093.7408 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5054 19441.9742 5746.5772 178.1492 -332787.3320 21379.5597 0.0000 0.0000 45302.6744 -222527.8918 164.7987 -267830.5662 -222091.0448 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1786 -222248.3321 154.3930 -264690.5106 -222073.6159 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6749 -222225.0685 152.7251 -264208.7434 -222064.4467 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6835 -222478.5363 160.7099 -266657.2198 -222068.8157 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3930 5754.3577 187.2447 -334778.0711 21596.8809 0.0000 0.0000 45751.9296 -222644.4010 166.4329 -268396.3306 -222073.1722 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.916, 0.471456/step Wall: 104.916, 0.471456/step, 0.0366688 hours remaining, 3223.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.335, 0.47095/step Wall: 114.335, 0.47095/step, 0.0340131 hours remaining, 3223.160156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5974 21757.6847 0.0000 0.0000 43181.1611 -222297.2441 157.0812 -265478.4052 -222071.2742 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
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TIMING: 260 CPU: 123.746, 0.470532/step Wall: 123.746, 0.470532/step, 0.0313688 hours remaining, 3223.511719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9717 21924.4740 0.0000 0.0000 45349.7770 -222527.2808 164.9700 -267877.0578 -222051.1552 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9513 21907.7772 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3174 -222069.1985 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
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ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3795 -222348.1914 157.8750 -265747.5709 -222054.3636 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2167 -222446.1647 160.8610 -266666.3814 -222055.6586 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7514 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2927 163.0557 -267327.8303 -222075.9877 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9166 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0074 -222365.2740 161.1804 -266673.2814 -222067.0436 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7074 -222503.3112 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7159 -222499.9697 165.5264 -268002.6856 -222069.0460 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8501 19594.7508 5701.2547 182.4904 -333292.1281 21971.0411 0.0000 0.0000 44028.5269 -222412.2142 160.1637 -266440.7410 -222072.9396 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8109 -222481.8219 162.3619 -267114.6328 -222061.0989 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2538 -222463.7063 161.9961 -266995.9600 -222063.4132 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5802 22096.4201 0.0000 0.0000 43975.0877 -222376.7281 159.9693 -266351.8158 -222065.2025 159.9693 -4044.3213 -2682.8388 921491.4634 -4044.3213 -2682.8388
TIMING: 280 CPU: 133.146, 0.470016/step Wall: 133.146, 0.470016/step, 0.0287232 hours remaining, 3223.511719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5036 22176.7656 0.0000 0.0000 45823.3367 -222526.2578 166.6927 -268349.5945 -222063.3316 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9201 22171.0650 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1105 -222060.8460 164.8939 -2008.7735 -2748.2305 921491.4634 -2008.7735 -2748.2305
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ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1966 22167.0168 0.0000 0.0000 43418.2628 -222354.5546 157.9437 -265772.8174 -222053.5968 157.9437 -1010.8435 -2700.0819 921491.4634 -1010.8435 -2700.0819
ENERGY: 286 19396.6308 20966.5621 5721.5032 185.8230 -334658.1148 22176.6865 0.0000 0.0000 43785.6879 -222425.2214 159.2803 -266210.9092 -222054.0584 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1189 20856.7821 5731.9346 184.4714 -334918.1479 22200.2912 0.0000 0.0000 44282.9435 -222485.6061 161.0892 -266768.5496 -222055.7255 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2087 20475.2850 5736.9558 182.7335 -335468.3147 22237.9040 0.0000 0.0000 44116.9902 -222455.2377 160.4855 -266572.2278 -222066.9054 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -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
ENERGY: 290 22615.9845 19325.5264 5730.3279 178.6973 -336571.4574 22308.2177 0.0000 0.0000 44027.4231 -222385.2804 160.1597 -266412.7035 -222063.4685 160.1597 -4815.3287 -2796.0389 921491.4634 -4815.3287 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 148.708
LDB: Largest compute 200 load 0.517189 is 1.1% of average load 45.787882
LDB: Average compute 0.064138 is 0.1% of average load 45.787882
LDB: TIME 148.71 LOAD: AVG 45.7879 MAX 47.0712 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.93 MB
LDB: TIME 148.711 LOAD: AVG 45.7879 MAX 47.0712 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.93 MB
LDB: TIME 148.727 LOAD: AVG 45.7879 MAX 46.3052 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.93 MB
LDB: ============== END OF LOAD BALANCING =============== 148.728
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.729
Info: Initial time: 4 CPUs 0.470444 s/step 5.44496 days/ns 3223.93 MB memory
TIMING: 300 CPU: 142.553, 0.470351/step Wall: 142.553, 0.470352/step, 0.0261306 hours remaining, 3223.929688 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: 151.784, 0.461576/step Wall: 151.784, 0.461576/step, 0.0230788 hours remaining, 3223.929688 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: 323 21976.7004 21085.8079 5695.4506 181.8003 -337194.0748 22550.8106 0.0000 0.0000 43361.4901 -222342.0150 157.7372 -265703.5050 -222061.4468 157.7372 -3808.3605 -2616.6943 921491.4634 -3808.3605 -2616.6943
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ENERGY: 327 20020.7819 19506.2792 5669.7116 187.2139 -334851.2529 22513.0148 0.0000 0.0000 44550.7423 -222403.5092 162.0634 -266954.2515 -222059.8763 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
ENERGY: 328 20934.1976 19092.0090 5666.7484 187.7399 -335303.4708 22549.7455 0.0000 0.0000 44493.2354 -222379.7950 161.8542 -266873.0304 -222061.7260 161.8542 -1393.2036 -2547.3517 921491.4634 -1393.2036 -2547.3517
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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: 338 21007.5743 19722.4643 5687.5590 179.5437 -335808.8623 22564.1945 0.0000 0.0000 44285.9172 -222361.6091 161.1000 -266647.5263 -222041.5961 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 161.009, 0.461224/step Wall: 161.009, 0.461224/step, 0.0204989 hours remaining, 3223.929688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 344 19898.5079 20447.2066 5699.9573 182.0106 -336095.2677 22596.5929 0.0000 0.0000 44790.9362 -222480.0562 162.9371 -267270.9923 -222071.3580 162.9371 -2338.1159 -2329.7492 921491.4634 -2338.1159 -2329.7492
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ENERGY: 347 20669.8293 19583.9409 5696.3949 182.8447 -334881.4386 22581.1983 0.0000 0.0000 43831.1328 -222336.0978 159.4456 -266167.2305 -222056.9476 159.4456 -1358.8144 -2194.9212 921491.4634 -1358.8144 -2194.9212
ENERGY: 348 21062.2470 19315.9902 5689.3479 182.7918 -335425.6671 22604.2202 0.0000 0.0000 44195.9877 -222375.0823 160.7729 -266571.0700 -222064.0951 160.7729 -1766.2766 -2218.9157 921491.4634 -1766.2766 -2218.9157
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3453 19066.8675 5675.7227 182.5405 -336836.8362 22661.9756 0.0000 0.0000 45710.0737 -222530.3110 166.2807 -268240.3847 -222058.0880 166.2807 -2896.5511 -2326.8868 921491.4634 -2896.5511 -2326.8868
ENERGY: 351 22235.3181 19085.8715 5672.3994 182.3762 -337072.3456 22693.2959 0.0000 0.0000 44770.4138 -222432.6708 162.8625 -267203.0846 -222058.6359 162.8625 -3254.0188 -2369.0508 921491.4634 -3254.0188 -2369.0508
ENERGY: 352 22912.9249 19180.1283 5672.7329 182.2243 -336794.7866 22708.6921 0.0000 0.0000 43795.3995 -222342.6845 159.3156 -266138.0840 -222059.3901 159.3156 -3190.0138 -2394.0290 921491.4634 -3190.0138 -2394.0290
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ENERGY: 354 19814.0380 19544.5094 5682.7360 181.9868 -335375.1832 22676.8667 0.0000 0.0000 44983.0759 -222491.9702 163.6361 -267475.0461 -222046.2246 163.6361 -2040.9898 -2415.4742 921491.4634 -2040.9898 -2415.4742
ENERGY: 355 18879.8417 19773.7511 5689.2466 181.9196 -334823.9964 22664.4421 0.0000 0.0000 45120.2679 -222514.5274 164.1351 -267634.7953 -222044.8385 164.1351 -1600.3168 -2424.6828 921491.4634 -1600.3168 -2424.6828
ENERGY: 356 19622.4369 20015.8112 5694.4280 181.9402 -334758.7696 22674.4080 0.0000 0.0000 44153.0886 -222416.6566 160.6168 -266569.7453 -222053.0963 160.6168 -1622.0261 -2446.8265 921491.4634 -1622.0261 -2446.8265
ENERGY: 357 20687.2710 20255.1058 5697.1708 182.0215 -335288.0649 22700.2949 0.0000 0.0000 43438.0179 -222328.1832 158.0156 -265766.2010 -222042.2331 158.0156 -2061.3605 -2486.6662 921491.4634 -2061.3605 -2486.6662
ENERGY: 358 20785.4065 20424.8431 5696.9833 182.1295 -336225.9483 22730.2419 0.0000 0.0000 44019.5823 -222386.7617 160.1311 -266406.3440 -222043.9946 160.1311 -2636.8579 -2541.3592 921491.4634 -2636.8579 -2541.3592
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TIMING: 360 CPU: 170.228, 0.460969/step Wall: 170.228, 0.460969/step, 0.0179266 hours remaining, 3223.929688 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 -336584.2279 22821.5836 0.0000 0.0000 44474.7536 -222423.6623 161.7869 -266898.4159 -222044.3969 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.442, 0.460704/step Wall: 179.442, 0.460704/step, 0.0153568 hours remaining, 3223.929688 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 19981.2272 19220.9464 5707.6637 175.9384 -334865.1817 22880.7954 0.0000 0.0000 44519.8586 -222378.7520 161.9510 -266898.6105 -222051.0441 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8725 22905.2740 0.0000 0.0000 44377.1815 -222372.0353 161.4320 -266749.2168 -222053.0054 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
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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 ============== 194.838
LDB: Largest compute 230 load 0.524347 is 1.1% of average load 45.692442
LDB: Average compute 0.063986 is 0.1% of average load 45.692442
LDB: TIME 194.84 LOAD: AVG 45.6924 MAX 46.1084 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.93 MB
LDB: TIME 194.84 LOAD: AVG 45.6924 MAX 46.1084 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.93 MB
LDB: TIME 194.841 LOAD: AVG 45.6924 MAX 46.1084 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3223.93 MB
LDB: ============== END OF LOAD BALANCING =============== 194.841
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.842
Info: Benchmark time: 4 CPUs 0.461027 s/step 5.33597 days/ns 3223.93 MB memory
TIMING: 400 CPU: 188.66, 0.46087/step Wall: 188.66, 0.46087/step, 0.0128019 hours remaining, 3223.929688 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: 418 20154.6646 20457.0907 5705.5847 188.6536 -336970.7862 23098.6723 0.0000 0.0000 44915.1422 -222450.9781 163.3889 -267366.1203 -222046.7096 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
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TIMING: 420 CPU: 197.844, 0.459217/step Wall: 197.844, 0.459217/step, 0.0102048 hours remaining, 3223.929688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 428 20140.4226 19760.4171 5710.4628 168.5259 -336199.9850 23087.7675 0.0000 0.0000 44884.2591 -222448.1301 163.2766 -267332.3891 -222058.0553 163.2766 -935.5730 -2206.9584 921491.4634 -935.5730 -2206.9584
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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 -338096.9204 23149.4491 0.0000 0.0000 44626.3095 -222402.4410 162.3382 -267028.7505 -222047.3919 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3705 20188.6725 5710.3546 168.1086 -338651.2099 23176.0844 0.0000 0.0000 45177.9904 -222461.6289 164.3451 -267639.6193 -222065.9062 164.3451 -3350.2743 -2296.1496 921491.4634 -3350.2743 -2296.1496
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0634 23162.2908 0.0000 0.0000 45192.9279 -222453.1315 164.3995 -267646.0594 -222052.5986 164.3995 -3187.3734 -2272.1275 921491.4634 -3187.3734 -2272.1275
ENERGY: 434 20730.3411 20338.1499 5711.6061 169.3247 -337394.2699 23140.7733 0.0000 0.0000 44883.0993 -222420.9755 163.2724 -267304.0748 -222051.1466 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2199 20362.4015 5714.0003 170.8455 -336680.6548 23123.4095 0.0000 0.0000 44675.9835 -222398.7948 162.5189 -267074.7782 -222049.5892 162.5189 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9240 20349.9980 5717.2345 173.0864 -336303.8806 23119.9075 0.0000 0.0000 44847.0980 -222425.6322 163.1414 -267272.7301 -222059.6964 163.1414 -1520.6596 -2145.1617 921491.4634 -1520.6596 -2145.1617
ENERGY: 437 19434.5514 20329.5091 5720.9893 175.9827 -336411.9780 23136.3865 0.0000 0.0000 45159.2685 -222455.2906 164.2770 -267614.5590 -222050.7508 164.2770 -1319.1167 -2134.4849 921491.4634 -1319.1167 -2134.4849
ENERGY: 438 19935.1530 20278.6094 5724.6883 179.3848 -336899.4573 23173.5516 0.0000 0.0000 45148.1323 -222459.9378 164.2365 -267608.0702 -222051.5673 164.2365 -1493.0940 -2145.0882 921491.4634 -1493.0940 -2145.0882
ENERGY: 439 21052.7405 20184.4294 5727.7929 183.0561 -337561.7718 23224.7479 0.0000 0.0000 44760.8212 -222428.1837 162.8276 -267189.0049 -222052.7970 162.8276 -1936.1989 -2169.8748 921491.4634 -1936.1989 -2169.8748
TIMING: 440 CPU: 207.025, 0.459028/step Wall: 207.025, 0.459028/step, 0.00765047 hours remaining, 3223.929688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5684 20036.2370 5729.7527 186.7201 -338123.1808 23276.2483 0.0000 0.0000 44417.5460 -222405.1084 161.5788 -266822.6544 -222059.4778 161.5788 -2408.4616 -2197.9674 921491.4634 -2408.4616 -2197.9674
ENERGY: 441 22355.5488 19860.0408 5730.3487 190.1145 -338361.1718 23313.2042 0.0000 0.0000 44502.6964 -222409.2184 161.8886 -266911.9148 -222050.0865 161.8886 -2716.1032 -2221.5316 921491.4634 -2716.1032 -2221.5316
ENERGY: 442 21853.6119 19664.5349 5729.4854 192.9412 -338090.1537 23327.1564 0.0000 0.0000 44880.6321 -222441.7918 163.2634 -267322.4239 -222049.7760 163.2634 -2710.5581 -2229.0699 921491.4634 -2710.5581 -2229.0699
ENERGY: 443 21064.3315 19487.0723 5727.6164 194.9329 -337369.3154 23320.0154 0.0000 0.0000 45118.1109 -222457.2359 164.1273 -267575.3468 -222048.6001 164.1273 -2448.1653 -2220.3534 921491.4634 -2448.1653 -2220.3534
ENERGY: 444 20449.3362 19357.2690 5725.4095 195.8735 -336464.1922 23301.5272 0.0000 0.0000 44987.7179 -222447.0590 163.6530 -267434.7768 -222057.9799 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5607 19307.2518 5723.6513 195.6942 -335759.3913 23283.8135 0.0000 0.0000 44708.7156 -222414.7043 162.6380 -267123.4199 -222046.5429 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6803 19324.9005 5722.5430 194.3235 -335494.5707 23276.0447 0.0000 0.0000 44620.2947 -222408.7840 162.3164 -267029.0787 -222046.1622 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2845 19416.0209 5722.2107 191.8641 -335769.4398 23282.7453 0.0000 0.0000 44816.5091 -222425.8051 163.0301 -267242.3142 -222046.8344 163.0301 -1993.3111 -2253.0603 921491.4634 -1993.3111 -2253.0603
ENERGY: 448 20187.5918 19583.6799 5722.5765 188.5554 -336503.1802 23303.8899 0.0000 0.0000 45065.6677 -222451.2189 163.9365 -267516.8867 -222059.3484 163.9365 -2372.1879 -2303.7901 921491.4634 -2372.1879 -2303.7901
ENERGY: 449 20877.4058 19832.6985 5723.5713 184.8596 -337500.9073 23334.5918 0.0000 0.0000 45101.1680 -222446.6123 164.0657 -267547.7803 -222047.7103 164.0657 -2827.1083 -2356.1409 921491.4634 -2827.1083 -2356.1409
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1299 5724.4776 181.0897 -338419.3251 23364.6238 0.0000 0.0000 44854.3096 -222432.2090 163.1677 -267286.5186 -222048.7864 163.1677 -3116.6760 -2394.3898 921491.4634 -3116.6760 -2394.3898
ENERGY: 451 22355.5904 20357.7254 5724.7144 177.6517 -338952.0910 23381.8003 0.0000 0.0000 44542.6984 -222411.9104 162.0341 -266954.6088 -222048.8250 162.0341 -3074.2537 -2405.7800 921491.4634 -3074.2537 -2405.7800
ENERGY: 452 22246.2016 20536.0133 5723.8953 174.8859 -338927.1536 23378.0939 0.0000 0.0000 44452.9193 -222415.1443 161.7075 -266868.0636 -222059.6373 161.7075 -2659.9609 -2384.7569 921491.4634 -2659.9609 -2384.7569
ENERGY: 453 21399.8725 20641.1310 5722.2879 173.1350 -338392.7931 23354.5903 0.0000 0.0000 44683.7031 -222418.0733 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3379 20654.1372 5720.2218 172.3637 -337567.1409 23320.6897 0.0000 0.0000 45008.1462 -222443.2444 163.7273 -267451.3906 -222041.8394 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7904 20584.7118 5718.4844 172.5169 -336790.6444 23290.4019 0.0000 0.0000 45086.5783 -222451.1606 164.0126 -267537.7389 -222040.8573 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3718 20440.6798 5717.7556 173.4248 -336350.1065 23274.9626 0.0000 0.0000 44811.4721 -222438.4397 163.0118 -267249.9118 -222055.3488 163.0118 -1305.5003 -2245.5823 921491.4634 -1305.5003 -2245.5823
ENERGY: 457 20047.4925 20251.9432 5718.5580 174.9241 -336395.8154 23277.8270 0.0000 0.0000 44521.8701 -222403.2005 161.9583 -266925.0706 -222049.4135 161.9583 -1906.4163 -2263.5013 921491.4634 -1906.4163 -2263.5013
ENERGY: 458 20585.8431 20019.2720 5720.7061 176.6081 -336835.0948 23294.7168 0.0000 0.0000 44632.7886 -222405.1602 162.3618 -267037.9488 -222051.2824 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4943 19784.9687 5724.0022 178.1984 -337468.1634 23318.6978 0.0000 0.0000 45113.9365 -222444.8655 164.1121 -267558.8019 -222053.1414 164.1121 -3350.5832 -2341.5797 921491.4634 -3350.5832 -2341.5797
TIMING: 460 CPU: 216.202, 0.458869/step Wall: 216.202, 0.458869/step, 0.00509854 hours remaining, 3223.929688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9062 5728.0972 179.4910 -338014.3760 23341.7996 0.0000 0.0000 45423.8562 -222480.6120 165.2395 -267904.4681 -222064.6839 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
ENERGY: 461 21862.8764 19507.1074 5732.5753 180.4332 -338251.6210 23355.3930 0.0000 0.0000 45154.6134 -222458.6223 164.2601 -267613.2357 -222058.0510 164.2601 -3556.1670 -2361.1800 921491.4634 -3556.1670 -2361.1800
ENERGY: 462 22264.2255 19487.8109 5736.4823 180.9531 -337988.7164 23351.1081 0.0000 0.0000 44559.9288 -222408.2078 162.0968 -266968.1366 -222056.7217 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1789 19513.9016 5738.9361 181.1160 -337284.1022 23326.9472 0.0000 0.0000 44313.4568 -222388.5656 161.2002 -266702.0224 -222054.6245 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2457 19559.9273 5739.2518 181.0096 -336389.3833 23291.1936 0.0000 0.0000 44654.0264 -222428.7288 162.4391 -267082.7552 -222058.5733 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7824 19631.8855 5737.2899 180.7155 -335701.1526 23259.7386 0.0000 0.0000 45094.5684 -222474.1723 164.0416 -267568.7407 -222052.9392 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4508 19708.3582 5733.2107 180.2808 -335443.7718 23245.0599 0.0000 0.0000 45020.7905 -222467.6210 163.7733 -267488.4115 -222052.9789 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8066 19783.1742 5727.6704 179.7757 -335721.0944 23249.4525 0.0000 0.0000 44523.6664 -222415.5486 161.9649 -266939.2150 -222054.3498 161.9649 -1393.6028 -2232.5925 921491.4634 -1393.6028 -2232.5925
ENERGY: 468 20761.8479 19845.4942 5721.5090 179.2778 -336451.5658 23265.8121 0.0000 0.0000 44291.6585 -222385.9664 161.1209 -266677.6249 -222056.3592 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3016 19910.2020 5715.6824 178.8504 -337458.3196 23284.3957 0.0000 0.0000 44720.3202 -222412.5674 162.6802 -267132.8875 -222046.0751 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -2405.7974
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 19972.8933 5710.9491 178.5947 -338383.2503 23297.0668 0.0000 0.0000 45346.4573 -222466.1157 164.9579 -267812.5731 -222047.6090 164.9579 -4259.6999 -2477.6833 921491.4634 -4259.6999 -2477.6833
ENERGY: 471 21732.8679 20054.6834 5707.9626 178.5890 -338913.2448 23297.5081 0.0000 0.0000 45471.3366 -222470.2972 165.4122 -267941.6338 -222047.5360 165.4122 -4290.5688 -2504.3177 921491.4634 -4290.5688 -2504.3177
ENERGY: 472 22081.2361 20161.5550 5707.0091 178.9047 -338870.6765 23279.4487 0.0000 0.0000 45028.5297 -222433.9933 163.8014 -267462.5230 -222059.5061 163.8014 -3659.7365 -2479.9186 921491.4634 -3659.7365 -2479.9186
ENERGY: 473 21866.1361 20289.3423 5707.9843 179.6165 -338307.7188 23240.7359 0.0000 0.0000 44634.5175 -222389.3862 162.3681 -267023.9037 -222043.8543 162.3681 -2556.3619 -2408.1659 921491.4634 -2556.3619 -2408.1659
ENERGY: 474 20842.9703 20372.0983 5710.2160 180.7466 -337438.4548 23189.2344 0.0000 0.0000 44733.2307 -222409.9585 162.7272 -267143.1892 -222041.2623 162.7272 -1295.5526 -2316.2730 921491.4634 -1295.5526 -2316.2730
ENERGY: 475 19674.2079 20371.7670 5712.9876 182.2512 -336604.2307 23142.3813 0.0000 0.0000 45070.2139 -222450.4219 163.9531 -267520.6358 -222039.4533 163.9531 -344.6449 -2232.2127 921491.4634 -344.6449 -2232.2127
ENERGY: 476 19235.7860 20282.0270 5715.7683 184.0125 -336100.0899 23115.8462 0.0000 0.0000 45106.0634 -222460.5866 164.0835 -267566.6500 -222053.6143 164.0835 -92.4050 -2183.0656 921491.4634 -92.4050 -2183.0656
ENERGY: 477 19704.7247 20145.9809 5718.4976 185.9230 -336101.8786 23114.2934 0.0000 0.0000 44812.3211 -222420.1379 163.0149 -267232.4590 -222044.8416 163.0149 -667.4947 -2171.8232 921491.4634 -667.4947 -2171.8232
ENERGY: 478 20493.4774 19974.7634 5721.0254 187.7262 -336537.4034 23131.2455 0.0000 0.0000 44627.0336 -222402.1319 162.3409 -267029.1656 -222047.4111 162.3409 -1807.1607 -2198.7960 921491.4634 -1807.1607 -2198.7960
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2098 -337215.5838 23156.6766 0.0000 0.0000 44802.1581 -222425.5087 162.9779 -267227.6668 -222050.5465 162.9779 -3089.8520 -2246.7921 921491.4634 -3089.8520 -2246.7921
TIMING: 480 CPU: 225.374, 0.458574/step Wall: 225.374, 0.458574/step, 0.00254764 hours remaining, 3223.929688 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 19623.1962 5725.3111 190.1900 -337854.6784 23181.5112 0.0000 0.0000 45051.6817 -222458.7553 163.8856 -267510.4370 -222064.6212 163.8856 -4077.7332 -2291.4895 921491.4634 -4077.7332 -2291.4895
ENERGY: 481 22092.4856 19510.0432 5727.0952 190.6351 -338199.2481 23196.7953 0.0000 0.0000 45041.3372 -222440.8566 163.8480 -267482.1937 -222052.5268 163.8480 -4466.2400 -2305.6736 921491.4634 -4466.2400 -2305.6736
ENERGY: 482 22186.3468 19466.6794 5728.4963 190.3597 -338044.5419 23192.7468 0.0000 0.0000 44865.8525 -222414.0603 163.2096 -267279.9128 -222051.4115 163.2096 -4059.3103 -2278.0619 921491.4634 -4059.3103 -2278.0619
ENERGY: 483 21553.1413 19511.5745 5729.5660 189.3226 -337426.2185 23165.8734 0.0000 0.0000 44861.8975 -222414.8432 163.1953 -267276.7407 -222048.7675 163.1953 -2964.1726 -2216.4119 921491.4634 -2964.1726 -2216.4119
ENERGY: 484 20460.8926 19631.1939 5730.2465 187.5454 -336590.8883 23126.1344 0.0000 0.0000 45003.6036 -222451.2719 163.7107 -267454.8755 -222059.8743 163.7107 -1565.2427 -2143.1853 921491.4634 -1565.2427 -2143.1853
ENERGY: 485 19688.7721 19800.2991 5730.5256 185.2458 -335902.5864 23092.8463 0.0000 0.0000 44955.5729 -222449.3247 163.5360 -267404.8976 -222045.9607 163.5360 -422.1571 -2086.8739 921491.4634 -422.1571 -2086.8739
ENERGY: 486 19602.5426 19954.8176 5729.7197 182.4662 -335612.3565 23080.3800 0.0000 0.0000 44645.9121 -222416.5183 162.4096 -267062.4304 -222044.6762 162.4096 87.3180 -2070.0985 921491.4634 87.3180 -2070.0985
ENERGY: 487 19881.0923 20072.0212 5727.4347 179.4360 -335846.4479 23091.0537 0.0000 0.0000 44503.3499 -222392.0601 161.8910 -266895.4099 -222045.2408 161.8910 -192.2347 -2106.8843 921491.4634 -192.2347 -2106.8843
ENERGY: 488 20125.2097 20156.1361 5723.5441 176.4338 -336552.5451 23118.8609 0.0000 0.0000 44827.0562 -222425.3044 163.0685 -267252.3605 -222057.1941 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8872 20236.4608 5718.5748 173.8639 -337540.4655 23156.7304 0.0000 0.0000 45266.1008 -222461.8476 164.6656 -267727.9483 -222045.6088 164.6656 -2511.2408 -2316.7069 921491.4634 -2511.2408 -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 21410.7492 20292.9021 5712.8912 171.8438 -338458.1360 23196.4871 0.0000 0.0000 45213.5631 -222459.6996 164.4745 -267673.2627 -222048.2210 164.4745 -3823.4043 -2437.4157 921491.4634 -3823.4043 -2437.4157
ENERGY: 491 22430.4641 20312.1360 5707.3795 170.5404 -338984.5792 23226.0931 0.0000 0.0000 44733.0091 -222404.9571 162.7264 -267137.9661 -222049.4641 162.7264 -4629.6939 -2524.6217 921491.4634 -4629.6939 -2524.6217
ENERGY: 492 22612.9546 20289.6810 5702.9944 170.0208 -338937.5813 23232.7200 0.0000 0.0000 44542.1952 -222387.0153 162.0323 -266929.2105 -222060.3863 162.0323 -4606.8528 -2557.4732 921491.4634 -4606.8528 -2557.4732
ENERGY: 493 21558.2186 20260.7373 5700.7779 170.3201 -338358.0629 23214.0532 0.0000 0.0000 45033.8230 -222420.1329 163.8207 -267453.9559 -222046.5903 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3364 20225.0260 5700.9806 171.2193 -337454.3829 23183.0791 0.0000 0.0000 45622.2474 -222483.4942 165.9612 -268105.7415 -222044.0870 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2461 20186.8300 5703.5926 172.5416 -336566.9879 23159.4621 0.0000 0.0000 45484.1227 -222477.1928 165.4587 -267961.3155 -222041.5566 165.4587 -1249.6837 -2407.3058 921491.4634 -1249.6837 -2407.3058
ENERGY: 496 19722.4832 20130.6472 5708.0350 174.0933 -335998.7147 23154.2632 0.0000 0.0000 44699.5265 -222409.6662 162.6046 -267109.1927 -222049.0672 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6665 20059.9176 5713.4613 175.7242 -335952.5034 23166.3542 0.0000 0.0000 44261.0283 -222363.3512 161.0095 -266624.3795 -222042.7502 161.0095 -421.0231 -2316.7929 921491.4634 -421.0231 -2316.7929
ENERGY: 498 20182.0163 19957.1215 5718.5597 177.2604 -336366.4926 23189.3582 0.0000 0.0000 44728.2529 -222413.9235 162.7091 -267142.1764 -222044.5222 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0678 19847.7308 5722.4090 178.6361 -337058.4817 23219.2401 0.0000 0.0000 45439.2638 -222493.1341 165.2956 -267932.3979 -222047.2064 165.2956 -2020.8689 -2376.3391 921491.4634 -2020.8689 -2376.3391
Info: Benchmark time: 4 CPUs 0.458061 s/step 5.30163 days/ns 3223.93 MB memory
TIMING: 500 CPU: 234.466, 0.454626/step Wall: 234.466, 0.454626/step, 0 hours remaining, 3223.929688 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 20974.8937 19756.6584 5724.4523 179.8271 -337741.4188 23251.1006 0.0000 0.0000 45359.0770 -222495.4095 165.0039 -267854.4866 -222061.0913 165.0039 -3197.5172 -2425.4144 921491.4634 -3197.5172 -2425.4144
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, 3229.184 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.184 MB of memory in use
====================================================
WallClock: 241.538589 CPUTime: 241.538589 Memory: 3229.183594 MB
[Partition 0][Node 0] End of program
Application 1111030 resources: utime ~949s, stime ~19s, Rss ~126544, inblocks ~66551, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.538589
CPU=241.538589
MEM=3229.183594
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 22:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 17 22:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 17 22:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 17 22:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189497 Dec 17 22:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 17 22:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 22:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 17 22:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 17 22:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 17 22:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 17 22:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 17 22:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 17 22:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 17 22:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 17 22:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 17 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/jenkins5282994121411787417.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}
