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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 ============== 54.4923
LDB: Largest compute 200 load 0.428788 is 1.2% of average load 36.811716
LDB: Average compute 0.051559 is 0.1% of average load 36.811716
LDB: Partitioning computes with target load 3.681172
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055822
LDB: ============== END OF LOAD BALANCING =============== 54.4953
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4964
Info: Initial time: 4 CPUs 0.473275 s/step 5.47771 days/ns 3221.45 MB memory
TIMING: 100 CPU: 48.299, 0.472344/step Wall: 48.299, 0.472344/step, 0.0524827 hours remaining, 3221.453125 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 ============== 63.9215
LDB: ============== END OF LOAD BALANCING =============== 63.9216
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.922
TIMING: 120 CPU: 57.7243, 0.471261/step Wall: 57.7243, 0.471261/step, 0.0497442 hours remaining, 3221.585938 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: 67.1441, 0.47099/step Wall: 67.1441, 0.47099/step, 0.047099 hours remaining, 3221.882812 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: 76.5524, 0.470414/step Wall: 76.5524, 0.470414/step, 0.044428 hours remaining, 3222.023438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 180 CPU: 85.9477, 0.469768/step Wall: 85.9477, 0.469768/step, 0.0417571 hours remaining, 3222.179688 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: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -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 ============== 101.547
LDB: Largest compute 200 load 0.424039 is 1.2% of average load 36.625533
LDB: Average compute 0.051299 is 0.1% of average load 36.625533
LDB: TIME 101.549 LOAD: AVG 36.6255 MAX 37.6245 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 101.551 LOAD: AVG 36.6255 MAX 37.5158 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 101.553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.556
Info: Initial time: 4 CPUs 0.470481 s/step 5.44538 days/ns 3223.59 MB memory
TIMING: 200 CPU: 95.357, 0.470463/step Wall: 95.357, 0.470463/step, 0.0392053 hours remaining, 3223.589844 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 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6425 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8136 -222122.6315 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 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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ENERGY: 212 23739.2708 19730.8221 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8666 -222104.2319 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6442 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6835 -222478.5361 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0654 -2703.9746 921491.4634 -2628.0654 -2703.9746
ENERGY: 219 19429.8642 19413.3932 5754.3577 187.2447 -334778.0711 21596.8809 0.0000 0.0000 45751.9296 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7333 -2810.5237 921491.4634 -4457.7333 -2810.5237
TIMING: 220 CPU: 104.774, 0.470835/step Wall: 104.774, 0.470835/step, 0.0366205 hours remaining, 3223.589844 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: 114.183, 0.470473/step Wall: 114.183, 0.470473/step, 0.0339786 hours remaining, 3223.589844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7361 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
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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: 260 CPU: 123.586, 0.470138/step Wall: 123.586, 0.470138/step, 0.0313425 hours remaining, 3223.894531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4782 -222476.8388 162.7936 -267228.3170 -222069.1983 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
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ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4574 21914.4804 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4853 21930.8374 0.0000 0.0000 44220.2167 -222446.1645 160.8610 -266666.3812 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5375 -222504.2925 163.0557 -267327.8300 -222075.9875 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
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7074 -222503.3110 165.9083 -268111.0183 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7159 -222499.9695 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8110 -222481.8219 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1005 22041.3359 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5802 22096.4199 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8160 -222065.2025 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 132.977, 0.469533/step Wall: 132.977, 0.469532/step, 0.0286936 hours remaining, 3223.894531 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 19458.4368 5670.0026 185.3899 -336752.6632 22145.1354 0.0000 0.0000 44066.7338 -222367.6418 160.3027 -266434.3756 -222073.4246 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5033 22176.7654 0.0000 0.0000 45823.3369 -222526.2576 166.6927 -268349.5945 -222063.3314 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9200 22171.0648 0.0000 0.0000 45328.8520 -222487.2585 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1965 22167.0166 0.0000 0.0000 43418.2632 -222354.5544 157.9437 -265772.8176 -222053.5966 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8230 -334658.1148 22176.6863 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3149 22237.9037 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.582
LDB: Largest compute 200 load 0.524457 is 1.1% of average load 45.750463
LDB: Average compute 0.064068 is 0.1% of average load 45.750463
LDB: TIME 148.584 LOAD: AVG 45.7505 MAX 47.0214 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.585 LOAD: AVG 45.7505 MAX 47.0214 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.6 LOAD: AVG 45.7505 MAX 46.2703 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.601
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.603
Info: Initial time: 4 CPUs 0.469935 s/step 5.43907 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.371, 0.469721/step Wall: 142.371, 0.469721/step, 0.0260956 hours remaining, 3224.093750 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: 151.586, 0.460756/step Wall: 151.586, 0.460756/step, 0.0230378 hours remaining, 3224.093750 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: 160.794, 0.460405/step Wall: 160.794, 0.460405/step, 0.0204624 hours remaining, 3224.093750 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: 169.999, 0.460227/step Wall: 169.999, 0.460227/step, 0.0178977 hours remaining, 3224.093750 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 20495.6591 5711.4639 183.2952 -336584.2275 22821.5836 0.0000 0.0000 44474.7538 -222423.6619 161.7869 -266898.4157 -222044.3965 161.7869 -2972.9874 -2523.3498 921491.4634 -2972.9874 -2523.3498
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TIMING: 380 CPU: 179.196, 0.45988/step Wall: 179.196, 0.45988/step, 0.0153293 hours remaining, 3224.093750 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 19220.9467 5707.6637 175.9384 -334865.1823 22880.7956 0.0000 0.0000 44519.8589 -222378.7515 161.9510 -266898.6104 -222051.0437 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4847 5710.9354 174.6759 -335109.8732 22905.2742 0.0000 0.0000 44377.1819 -222372.0349 161.4320 -266749.2168 -222053.0049 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -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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ENERGY: 398 19692.8116 20133.3590 5716.9814 176.0456 -336812.3373 23014.0581 0.0000 0.0000 45592.7323 -222486.3494 165.8538 -268079.0816 -222045.7220 165.8538 -1710.2239 -2443.6966 921491.4634 -1710.2239 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.625
LDB: Largest compute 230 load 0.521844 is 1.1% of average load 45.655799
LDB: Average compute 0.063938 is 0.1% of average load 45.655799
LDB: TIME 194.627 LOAD: AVG 45.6558 MAX 46.0225 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.628 LOAD: AVG 45.6558 MAX 46.0225 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.628 LOAD: AVG 45.6558 MAX 46.0225 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.628
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.629
Info: Benchmark time: 4 CPUs 0.460162 s/step 5.32595 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.391, 0.459743/step Wall: 188.391, 0.459743/step, 0.0127706 hours remaining, 3224.093750 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: 408 19735.8470 19387.6647 5692.2152 187.5226 -335902.8221 23017.8170 0.0000 0.0000 45394.4123 -222487.3432 165.1324 -267881.7556 -222063.5312 165.1324 -920.8284 -2294.1558 921491.4634 -920.8284 -2294.1558
ENERGY: 409 20350.1188 19376.4611 5688.4775 191.1593 -336896.6850 23057.9919 0.0000 0.0000 45733.6060 -222498.8704 166.3663 -268232.4764 -222051.6705 166.3663 -2367.4923 -2346.9328 921491.4634 -2367.4923 -2346.9328
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 19942.3169 20661.9894 5710.0857 195.6954 -336157.5862 23063.1715 0.0000 0.0000 44200.2854 -222384.0419 160.7885 -266584.3274 -222052.9642 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3750 20631.3206 5709.0494 192.4696 -336373.1075 23072.1099 0.0000 0.0000 44338.4623 -222398.3208 161.2911 -266736.7831 -222044.6992 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6648 20457.0906 5705.5847 188.6537 -336970.7867 23098.6727 0.0000 0.0000 44915.1425 -222450.9777 163.3889 -267366.1202 -222046.7091 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7631 20185.5521 5700.4810 184.6055 -337717.8756 23139.8024 0.0000 0.0000 45250.3103 -222466.3611 164.6082 -267716.6715 -222049.5948 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.563, 0.458588/step Wall: 197.563, 0.458588/step, 0.0101909 hours remaining, 3224.093750 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 19603.3346 19432.3073 5702.4947 169.0990 -335270.6880 23080.2895 0.0000 0.0000 44862.7386 -222420.4242 163.1983 -267283.1628 -222049.1085 163.1983 -1125.8048 -2237.7212 921491.4634 -1125.8048 -2237.7212
ENERGY: 427 19598.5316 19595.2902 5707.1504 168.7509 -335498.4322 23074.5010 0.0000 0.0000 44915.2775 -222438.9306 163.3894 -267354.2081 -222048.7334 163.3894 -741.9006 -2207.6352 921491.4634 -741.9006 -2207.6352
ENERGY: 428 20140.4228 19760.4174 5710.4628 168.5259 -336199.9858 23087.7680 0.0000 0.0000 44884.2593 -222448.1295 163.2766 -267332.3889 -222058.0548 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -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 22013.9871 20024.3740 5712.1700 168.1897 -338096.9207 23149.4496 0.0000 0.0000 44626.3098 -222402.4405 162.3382 -267028.7503 -222047.3914 162.3382 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3705 20188.6725 5710.3547 168.1086 -338651.2099 23176.0849 0.0000 0.0000 45177.9907 -222461.6281 164.3451 -267639.6188 -222065.9054 164.3451 -3350.2740 -2296.1495 921491.4634 -3350.2740 -2296.1495
ENERGY: 433 21200.9074 20275.9663 5710.3763 168.4633 -338164.0635 23162.2913 0.0000 0.0000 45192.9281 -222453.1307 164.3995 -267646.0588 -222052.5978 164.3995 -3187.3731 -2272.1274 921491.4634 -3187.3731 -2272.1274
ENERGY: 434 20730.3414 20338.1498 5711.6061 169.3247 -337394.2701 23140.7737 0.0000 0.0000 44883.0996 -222420.9747 163.2724 -267304.0744 -222051.1458 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6552 23123.4099 0.0000 0.0000 44675.9840 -222398.7940 162.5190 -267074.7780 -222049.5885 162.5190 -2061.3580 -2179.8949 921491.4634 -2061.3580 -2179.8949
ENERGY: 436 19670.9242 20349.9979 5717.2345 173.0864 -336303.8809 23119.9079 0.0000 0.0000 44847.0986 -222425.6314 163.1414 -267272.7299 -222059.6956 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5516 20329.5090 5720.9893 175.9827 -336411.9782 23136.3869 0.0000 0.0000 45159.2690 -222455.2897 164.2770 -267614.5587 -222050.7499 164.2770 -1319.1169 -2134.4848 921491.4634 -1319.1169 -2134.4848
ENERGY: 438 19935.1532 20278.6094 5724.6884 179.3848 -336899.4574 23173.5519 0.0000 0.0000 45148.1326 -222459.9370 164.2365 -267608.0696 -222051.5665 164.2365 -1493.0942 -2145.0881 921491.4634 -1493.0942 -2145.0881
ENERGY: 439 21052.7407 20184.4296 5727.7929 183.0561 -337561.7718 23224.7482 0.0000 0.0000 44760.8214 -222428.1829 162.8276 -267189.0043 -222052.7962 162.8276 -1936.1989 -2169.8747 921491.4634 -1936.1989 -2169.8747
TIMING: 440 CPU: 206.723, 0.457983/step Wall: 206.723, 0.457983/step, 0.00763305 hours remaining, 3224.093750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2373 5729.7527 186.7201 -338123.1811 23276.2485 0.0000 0.0000 44417.5463 -222405.1080 161.5788 -266822.6542 -222059.4774 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5486 19860.0411 5730.3488 190.1145 -338361.1721 23313.2044 0.0000 0.0000 44502.6968 -222409.2179 161.8886 -266911.9147 -222050.0860 161.8886 -2716.1030 -2221.5316 921491.4634 -2716.1030 -2221.5316
ENERGY: 442 21853.6119 19664.5352 5729.4854 192.9411 -338090.1540 23327.1566 0.0000 0.0000 44880.6323 -222441.7914 163.2634 -267322.4237 -222049.7756 163.2634 -2710.5579 -2229.0699 921491.4634 -2710.5579 -2229.0699
ENERGY: 443 21064.3317 19487.0726 5727.6164 194.9329 -337369.3158 23320.0156 0.0000 0.0000 45118.1110 -222457.2355 164.1273 -267575.3465 -222048.5996 164.1273 -2448.1651 -2220.3534 921491.4634 -2448.1651 -2220.3534
ENERGY: 444 20449.3365 19357.2693 5725.4095 195.8734 -336464.1928 23301.5274 0.0000 0.0000 44987.7181 -222447.0586 163.6530 -267434.7767 -222057.9796 163.6530 -2090.2101 -2206.4402 921491.4634 -2090.2101 -2206.4402
ENERGY: 445 20125.5609 19307.2520 5723.6513 195.6942 -335759.3920 23283.8136 0.0000 0.0000 44708.7160 -222414.7040 162.6380 -267123.4199 -222046.5426 162.6380 -1846.9628 -2201.6928 921491.4634 -1846.9628 -2201.6928
ENERGY: 446 19947.6807 19324.9008 5722.5430 194.3235 -335494.5713 23276.0448 0.0000 0.0000 44620.2949 -222408.7837 162.3164 -267029.0786 -222046.1618 162.3164 -1800.7521 -2216.7296 921491.4634 -1800.7521 -2216.7296
ENERGY: 447 19914.2850 19416.0212 5722.2107 191.8641 -335769.4403 23282.7455 0.0000 0.0000 44816.5091 -222425.8048 163.0301 -267242.3139 -222046.8341 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5922 19583.6801 5722.5764 188.5554 -336503.1804 23303.8901 0.0000 0.0000 45065.6677 -222451.2185 163.9365 -267516.8862 -222059.3480 163.9365 -2372.1881 -2303.7901 921491.4634 -2372.1881 -2303.7901
ENERGY: 449 20877.4060 19832.6986 5723.5712 184.8596 -337500.9073 23334.5920 0.0000 0.0000 45101.1681 -222446.6119 164.0657 -267547.7799 -222047.7099 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 21754.4853 20108.1299 5724.4776 181.0897 -338419.3249 23364.6240 0.0000 0.0000 44854.3098 -222432.2086 163.1677 -267286.5184 -222048.7860 163.1677 -3116.6758 -2394.3898 921491.4634 -3116.6758 -2394.3898
ENERGY: 451 22355.5903 20357.7254 5724.7144 177.6517 -338952.0907 23381.8004 0.0000 0.0000 44542.6987 -222411.9100 162.0341 -266954.6086 -222048.8245 162.0341 -3074.2534 -2405.7799 921491.4634 -3074.2534 -2405.7799
ENERGY: 452 22246.2016 20536.0132 5723.8953 174.8859 -338927.1532 23378.0940 0.0000 0.0000 44452.9195 -222415.1437 161.7075 -266868.0632 -222059.6368 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8727 20641.1308 5722.2878 173.1350 -338392.7928 23354.5904 0.0000 0.0000 44683.7033 -222418.0728 162.5470 -267101.7761 -222043.5369 162.5470 -2048.3338 -2342.4668 921491.4634 -2048.3338 -2342.4668
ENERGY: 454 20248.3381 20654.1370 5720.2217 172.3637 -337567.1408 23320.6898 0.0000 0.0000 45008.1466 -222443.2439 163.7273 -267451.3905 -222041.8389 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7906 20584.7116 5718.4844 172.5169 -336790.6446 23290.4020 0.0000 0.0000 45086.5789 -222451.1601 164.0126 -267537.7390 -222040.8567 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6797 5717.7555 173.4248 -336350.1069 23274.9629 0.0000 0.0000 44811.4725 -222438.4392 163.0118 -267249.9117 -222055.3483 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4931 20251.9433 5718.5580 174.9241 -336395.8160 23277.8272 0.0000 0.0000 44521.8704 -222403.1999 161.9583 -266925.0703 -222049.4130 161.9583 -1906.4166 -2263.5012 921491.4634 -1906.4166 -2263.5012
ENERGY: 458 20585.8436 20019.2722 5720.7060 176.6081 -336835.0955 23294.7170 0.0000 0.0000 44632.7888 -222405.1596 162.3618 -267037.9484 -222051.2819 162.3618 -2684.6988 -2301.0427 921491.4634 -2684.6988 -2301.0427
ENERGY: 459 20903.4946 19784.9691 5724.0021 178.1984 -337468.1640 23318.6981 0.0000 0.0000 45113.9368 -222444.8650 164.1121 -267558.8017 -222053.1408 164.1121 -3350.5833 -2341.5796 921491.4634 -3350.5833 -2341.5796
TIMING: 460 CPU: 215.874, 0.457561/step Wall: 215.874, 0.457561/step, 0.00508401 hours remaining, 3224.093750 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 19597.9067 5728.0971 179.4910 -338014.3764 23341.7999 0.0000 0.0000 45423.8566 -222480.6113 165.2395 -267904.4679 -222064.6832 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8764 19507.1080 5732.5752 180.4333 -338251.6214 23355.3933 0.0000 0.0000 45154.6137 -222458.6216 164.2601 -267613.2353 -222058.0503 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2257 19487.8114 5736.4822 180.9531 -337988.7168 23351.1084 0.0000 0.0000 44559.9290 -222408.2071 162.0968 -266968.1361 -222056.7210 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1792 19513.9021 5738.9361 181.1160 -337284.1028 23326.9475 0.0000 0.0000 44313.4571 -222388.5649 161.2002 -266702.0220 -222054.6239 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2459 19559.9277 5739.2518 181.0096 -336389.3843 23291.1939 0.0000 0.0000 44654.0269 -222428.7284 162.4391 -267082.7553 -222058.5728 162.4391 -1050.9227 -2205.5270 921491.4634 -1050.9227 -2205.5270
ENERGY: 465 19322.7827 19631.8858 5737.2898 180.7155 -335701.1537 23259.7389 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7410 -222052.9387 164.0416 -512.3347 -2174.4010 921491.4634 -512.3347 -2174.4010
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7729 23245.0602 0.0000 0.0000 45020.7911 -222467.6205 163.7733 -267488.4117 -222052.9785 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8072 19783.1745 5727.6703 179.7757 -335721.0955 23249.4528 0.0000 0.0000 44523.6668 -222415.5482 161.9649 -266939.2150 -222054.3494 161.9649 -1393.6032 -2232.5925 921491.4634 -1393.6032 -2232.5925
ENERGY: 468 20761.8484 19845.4944 5721.5089 179.2779 -336451.5667 23265.8123 0.0000 0.0000 44291.6589 -222385.9659 161.1209 -266677.6248 -222056.3587 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3202 23284.3960 0.0000 0.0000 44720.3208 -222412.5669 162.6802 -267132.8876 -222046.0746 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -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 21411.1732 19972.8934 5710.9491 178.5947 -338383.2508 23297.0671 0.0000 0.0000 45346.4581 -222466.1153 164.9580 -267812.5733 -222047.6085 164.9580 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8679 20054.6833 5707.9626 178.5890 -338913.2452 23297.5084 0.0000 0.0000 45471.3372 -222470.2967 165.4122 -267941.6339 -222047.5355 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2363 20161.5549 5707.0091 178.9047 -338870.6767 23279.4490 0.0000 0.0000 45028.5302 -222433.9926 163.8014 -267462.5228 -222059.5055 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1363 20289.3423 5707.9843 179.6165 -338307.7191 23240.7362 0.0000 0.0000 44634.5179 -222389.3856 162.3681 -267023.9035 -222043.8536 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9704 20372.0983 5710.2160 180.7466 -337438.4553 23189.2347 0.0000 0.0000 44733.2314 -222409.9578 162.7272 -267143.1892 -222041.2616 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2081 20371.7671 5712.9876 182.2512 -336604.2315 23142.3817 0.0000 0.0000 45070.2146 -222450.4213 163.9531 -267520.6359 -222039.4527 163.9531 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7864 20282.0272 5715.7683 184.0125 -336100.0905 23115.8466 0.0000 0.0000 45106.0640 -222460.5856 164.0835 -267566.6495 -222053.6133 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7252 20145.9812 5718.4976 185.9230 -336101.8792 23114.2939 0.0000 0.0000 44812.3214 -222420.1369 163.0149 -267232.4583 -222044.8406 163.0149 -667.4948 -2171.8229 921491.4634 -667.4948 -2171.8229
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4040 23131.2459 0.0000 0.0000 44627.0340 -222402.1309 162.3409 -267029.1649 -222047.4101 162.3409 -1807.1606 -2198.7957 921491.4634 -1807.1606 -2198.7957
ENERGY: 479 21125.3058 19793.3957 5723.3295 189.2099 -337215.5843 23156.6771 0.0000 0.0000 44802.1586 -222425.5077 162.9779 -267227.6663 -222050.5455 162.9779 -3089.8518 -2246.7918 921491.4634 -3089.8518 -2246.7918
TIMING: 480 CPU: 225.019, 0.457257/step Wall: 225.019, 0.457257/step, 0.00254032 hours remaining, 3224.093750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0327 19623.1966 5725.3111 190.1900 -337854.6791 23181.5117 0.0000 0.0000 45051.6823 -222458.7547 163.8856 -267510.4369 -222064.6206 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4855 19510.0435 5727.0952 190.6351 -338199.2487 23196.7958 0.0000 0.0000 45041.3376 -222440.8559 163.8480 -267482.1935 -222052.5262 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3469 19466.6797 5728.4964 190.3598 -338044.5425 23192.7473 0.0000 0.0000 44865.8528 -222414.0596 163.2096 -267279.9124 -222051.4109 163.2096 -4059.3097 -2278.0616 921491.4634 -4059.3097 -2278.0616
ENERGY: 483 21553.1414 19511.5748 5729.5660 189.3226 -337426.2192 23165.8739 0.0000 0.0000 44861.8978 -222414.8426 163.1953 -267276.7404 -222048.7668 163.1953 -2964.1721 -2216.4117 921491.4634 -2964.1721 -2216.4117
ENERGY: 484 20460.8926 19631.1942 5730.2465 187.5455 -336590.8893 23126.1350 0.0000 0.0000 45003.6041 -222451.2714 163.7107 -267454.8755 -222059.8739 163.7107 -1565.2426 -2143.1852 921491.4634 -1565.2426 -2143.1852
ENERGY: 485 19688.7723 19800.2994 5730.5256 185.2458 -335902.5875 23092.8469 0.0000 0.0000 44955.5732 -222449.3243 163.5360 -267404.8975 -222045.9603 163.5360 -422.1572 -2086.8738 921491.4634 -422.1572 -2086.8738
ENERGY: 486 19602.5430 19954.8178 5729.7197 182.4662 -335612.3576 23080.3806 0.0000 0.0000 44645.9123 -222416.5178 162.4096 -267062.4301 -222044.6757 162.4096 87.3177 -2070.0985 921491.4634 87.3177 -2070.0985
ENERGY: 487 19881.0928 20072.0214 5727.4347 179.4360 -335846.4489 23091.0543 0.0000 0.0000 44503.3500 -222392.0596 161.8910 -266895.4096 -222045.2404 161.8910 -192.2350 -2106.8843 921491.4634 -192.2350 -2106.8843
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5459 23118.8616 0.0000 0.0000 44827.0564 -222425.3039 163.0685 -267252.3603 -222057.1936 163.0685 -1145.7537 -2194.6681 921491.4634 -1145.7537 -2194.6681
ENERGY: 489 20526.8872 20236.4609 5718.5748 173.8639 -337540.4661 23156.7310 0.0000 0.0000 45266.1011 -222461.8471 164.6656 -267727.9483 -222045.6084 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9021 5712.8912 171.8438 -338458.1366 23196.4878 0.0000 0.0000 45213.5635 -222459.6991 164.4745 -267673.2626 -222048.2206 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4642 20312.1359 5707.3795 170.5404 -338984.5797 23226.0938 0.0000 0.0000 44733.0093 -222404.9566 162.7264 -267137.9660 -222049.4636 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9549 20289.6809 5702.9944 170.0208 -338937.5819 23232.7206 0.0000 0.0000 44542.1955 -222387.0149 162.0323 -266929.2103 -222060.3858 162.0323 -4606.8523 -2557.4730 921491.4634 -4606.8523 -2557.4730
ENERGY: 493 21558.2188 20260.7373 5700.7778 170.3201 -338358.0637 23214.0539 0.0000 0.0000 45033.8235 -222420.1324 163.8207 -267453.9559 -222046.5899 163.8207 -3796.3818 -2540.0997 921491.4634 -3796.3818 -2540.0997
ENERGY: 494 20068.3366 20225.0261 5700.9805 171.2193 -337454.3840 23183.0798 0.0000 0.0000 45622.2480 -222483.4937 165.9612 -268105.7418 -222044.0866 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2464 20186.8302 5703.5926 172.5416 -336566.9892 23159.4628 0.0000 0.0000 45484.1234 -222477.1923 165.4587 -267961.3157 -222041.5561 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4836 20130.6474 5708.0350 174.0933 -335998.7161 23154.2640 0.0000 0.0000 44699.5272 -222409.6656 162.6046 -267109.1928 -222049.0667 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6670 20059.9179 5713.4612 175.7242 -335952.5050 23166.3550 0.0000 0.0000 44261.0291 -222363.3507 161.0095 -266624.3798 -222042.7496 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0165 19957.1219 5718.5596 177.2604 -336366.4943 23189.3590 0.0000 0.0000 44728.2539 -222413.9230 162.7091 -267142.1769 -222044.5216 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0679 19847.7312 5722.4089 178.6361 -337058.4836 23219.2410 0.0000 0.0000 45439.2649 -222493.1336 165.2956 -267932.3985 -222047.2059 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.456985 s/step 5.28918 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.09, 0.453543/step Wall: 234.09, 0.453543/step, 0 hours remaining, 3224.093750 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 20974.8939 19756.6588 5724.4523 179.8271 -337741.4204 23251.1015 0.0000 0.0000 45359.0782 -222495.4086 165.0039 -267854.4868 -222061.0904 165.0039 -3197.5166 -2425.4140 921491.4634 -3197.5166 -2425.4140
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.367 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.367 MB of memory in use
====================================================
WallClock: 241.212891 CPUTime: 241.212891 Memory: 3229.367188 MB
[Partition 0][Node 0] End of program
Application 1111788 resources: utime ~948s, stime ~18s, Rss ~126900, inblocks ~66548, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.212891
CPU=241.212891
MEM=3229.367188
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 06:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 06:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 06:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 06:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189501 Dec 20 06:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 20 06:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 06:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 06:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 06:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 06:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 06:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins447336637028646123.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}
