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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 ============== 54.6532
LDB: Largest compute 200 load 0.431506 is 1.2% of average load 36.886640
LDB: Average compute 0.051673 is 0.1% of average load 36.886640
LDB: Partitioning computes with target load 3.688664
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055395
LDB: ============== END OF LOAD BALANCING =============== 54.6553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6562
Info: Initial time: 4 CPUs 0.474531 s/step 5.49225 days/ns 3221.46 MB memory
TIMING: 100 CPU: 48.4246, 0.473504/step Wall: 48.4246, 0.473504/step, 0.0526115 hours remaining, 3221.464844 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 ============== 64.1095
LDB: ============== END OF LOAD BALANCING =============== 64.1096
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.11
TIMING: 120 CPU: 57.8773, 0.472636/step Wall: 57.8773, 0.472636/step, 0.0498894 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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ENERGY: 138 21874.8524 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3224, 0.472253/step Wall: 67.3224, 0.472253/step, 0.0472253 hours remaining, 3221.902344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1577 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3945 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.7547, 0.471615/step Wall: 76.7547, 0.471615/step, 0.0445414 hours remaining, 3222.117188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 180 CPU: 86.1772, 0.471123/step Wall: 86.1772, 0.471123/step, 0.0418776 hours remaining, 3222.117188 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 19471.4305 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 101.834
LDB: Largest compute 200 load 0.425737 is 1.2% of average load 36.706343
LDB: Average compute 0.051416 is 0.1% of average load 36.706343
LDB: TIME 101.836 LOAD: AVG 36.7063 MAX 37.7236 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 101.838 LOAD: AVG 36.7063 MAX 37.6466 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 101.84
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.843
Info: Initial time: 4 CPUs 0.471763 s/step 5.46022 days/ns 3223.13 MB memory
TIMING: 200 CPU: 95.6108, 0.47168/step Wall: 95.6108, 0.47168/step, 0.0393067 hours remaining, 3223.132812 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
ENERGY: 210 21385.1734 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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ENERGY: 216 20973.4717 19522.5060 5756.9571 180.1770 -332560.1058 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
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ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1144 21546.6561 0.0000 0.0000 44178.6836 -222478.5359 160.7099 -266657.2195 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.075, 0.473224/step Wall: 105.075, 0.473224/step, 0.0368063 hours remaining, 3223.132812 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: 114.536, 0.473061/step Wall: 114.536, 0.473061/step, 0.0341655 hours remaining, 3223.132812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1205 21705.0849 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1841 21719.8453 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1352 21746.4309 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1596 5733.2541 193.8023 -336093.2673 21826.9294 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
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ENERGY: 256 20899.4410 18950.9576 5693.4518 195.6570 -332975.5970 21757.6847 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
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TIMING: 260 CPU: 123.989, 0.472644/step Wall: 123.989, 0.472644/step, 0.0315096 hours remaining, 3223.480469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9513 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8415 20681.9927 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3813 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7813 19927.1701 5694.0390 187.7640 -336221.0660 21997.2160 0.0000 0.0000 44586.5098 -222431.5859 162.1935 -267018.0957 -222066.1974 162.1935 -3401.4129 -2647.2950 921491.4634 -3401.4129 -2647.2950
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9166 5690.3173 187.1618 -336650.6772 22028.8070 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5822 19078.8063 5690.0209 186.1610 -336571.7889 22035.2500 0.0000 0.0000 44829.4472 -222406.5212 163.0772 -267235.9684 -222066.8387 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5584 18896.0659 5692.8269 184.9335 -335921.4610 22015.0579 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9078 5697.5118 183.8526 -334925.7008 21985.5295 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1003 22041.3357 0.0000 0.0000 44532.2540 -222463.7062 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5800 22096.4197 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2024 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.429, 0.47199/step Wall: 133.429, 0.47199/step, 0.0288438 hours remaining, 3223.480469 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 -336752.6634 22145.1352 0.0000 0.0000 44066.7338 -222367.6420 160.3027 -266434.3759 -222073.4248 160.3027 -4286.3894 -2748.0547 921491.4634 -4286.3894 -2748.0547
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ENERGY: 282 20943.7898 19615.5381 5669.9796 186.8360 -336942.5036 22176.7653 0.0000 0.0000 45823.3369 -222526.2579 166.6927 -268349.5948 -222063.3317 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1061 19966.6616 5678.8137 187.1634 -336251.9202 22171.0646 0.0000 0.0000 45328.8520 -222487.2588 164.8939 -267816.1108 -222060.8461 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
ENERGY: 284 20506.3999 20401.8823 5692.0830 187.1346 -335412.6300 22166.2908 0.0000 0.0000 44071.4480 -222387.3915 160.3198 -266458.8395 -222061.5540 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1965 22167.0164 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8177 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5622 5721.5031 185.8229 -334658.1148 22176.6861 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1478 22200.2908 0.0000 0.0000 44282.9438 -222485.6059 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2850 5736.9557 182.7335 -335468.3146 22237.9035 0.0000 0.0000 44116.9904 -222455.2376 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -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 ============== 149.108
LDB: Largest compute 200 load 0.520919 is 1.1% of average load 45.802964
LDB: Average compute 0.064163 is 0.1% of average load 45.802964
LDB: TIME 149.11 LOAD: AVG 45.803 MAX 47.2652 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.84 MB
LDB: TIME 149.11 LOAD: AVG 45.803 MAX 47.2652 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.84 MB
LDB: TIME 149.125 LOAD: AVG 45.803 MAX 46.3264 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.84 MB
LDB: ============== END OF LOAD BALANCING =============== 149.126
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.128
Info: Initial time: 4 CPUs 0.472323 s/step 5.4667 days/ns 3223.84 MB memory
TIMING: 300 CPU: 142.863, 0.471697/step Wall: 142.863, 0.471697/step, 0.0262054 hours remaining, 3223.835938 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: 320 CPU: 152.103, 0.461995/step Wall: 152.103, 0.461995/step, 0.0230997 hours remaining, 3223.835938 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: 340 CPU: 161.337, 0.46168/step Wall: 161.337, 0.46168/step, 0.0205191 hours remaining, 3223.835938 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: 360 CPU: 170.565, 0.461441/step Wall: 170.565, 0.461441/step, 0.0179449 hours remaining, 3223.835938 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: 380 CPU: 179.79, 0.461239/step Wall: 179.79, 0.461239/step, 0.0153746 hours remaining, 3223.835938 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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ENERGY: 385 19327.8184 19356.8911 5707.7752 177.4354 -335210.6403 22871.6143 0.0000 0.0000 45299.7167 -222469.3893 164.7879 -267769.1060 -222051.0996 164.7879 215.3512 -2064.3637 921491.4634 215.3512 -2064.3637
ENERGY: 386 19981.2275 19220.9463 5707.6638 175.9384 -334865.1818 22880.7957 0.0000 0.0000 44519.8582 -222378.7519 161.9510 -266898.6101 -222051.0441 161.9510 122.6668 -2011.2428 921491.4634 122.6668 -2011.2428
ENERGY: 387 20367.2858 19202.4843 5710.9354 174.6759 -335109.8725 22905.2743 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2166 -222053.0053 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3983 19280.0166 5717.2934 173.7038 -335824.1514 22938.2900 0.0000 0.0000 44972.7760 -222459.6731 163.5986 -267432.4491 -222067.4817 163.5986 -2063.8550 -2076.2820 921491.4634 -2063.8550 -2076.2820
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8113 20133.3592 5716.9814 176.0456 -336812.3379 23014.0589 0.0000 0.0000 45592.7319 -222486.3497 165.8538 -268079.0816 -222045.7223 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 195.278
LDB: Largest compute 230 load 0.529407 is 1.2% of average load 45.763312
LDB: Average compute 0.064087 is 0.1% of average load 45.763312
LDB: TIME 195.28 LOAD: AVG 45.7633 MAX 46.1503 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.84 MB
LDB: TIME 195.28 LOAD: AVG 45.7633 MAX 46.1503 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.84 MB
LDB: TIME 195.281 LOAD: AVG 45.7633 MAX 46.1503 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.84 MB
LDB: ============== END OF LOAD BALANCING =============== 195.281
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.282
Info: Benchmark time: 4 CPUs 0.461441 s/step 5.34075 days/ns 3223.84 MB memory
TIMING: 400 CPU: 189.011, 0.461053/step Wall: 189.011, 0.461053/step, 0.012807 hours remaining, 3223.835938 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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ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6954 -336157.5865 23063.1716 0.0000 0.0000 44200.2851 -222384.0421 160.7885 -266584.3272 -222052.9644 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
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ENERGY: 418 20154.6645 20457.0909 5705.5847 188.6537 -336970.7868 23098.6726 0.0000 0.0000 44915.1425 -222450.9779 163.3889 -267366.1204 -222046.7093 163.3889 -671.8544 -2269.9922 921491.4634 -671.8544 -2269.9922
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TIMING: 420 CPU: 198.212, 0.460043/step Wall: 198.212, 0.460043/step, 0.0102232 hours remaining, 3223.835938 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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ENERGY: 426 19603.3347 19432.3067 5702.4947 169.0990 -335270.6876 23080.2890 0.0000 0.0000 44862.7388 -222420.4248 163.1983 -267283.1635 -222049.1091 163.1983 -1125.8051 -2237.7215 921491.4634 -1125.8051 -2237.7215
ENERGY: 427 19598.5313 19595.2896 5707.1504 168.7509 -335498.4318 23074.5004 0.0000 0.0000 44915.2780 -222438.9312 163.3894 -267354.2092 -222048.7340 163.3894 -741.9007 -2207.6355 921491.4634 -741.9007 -2207.6355
ENERGY: 428 20140.4225 19760.4169 5710.4628 168.5259 -336199.9850 23087.7674 0.0000 0.0000 44884.2599 -222448.1296 163.2766 -267332.3895 -222058.0549 163.2766 -935.5730 -2206.9585 921491.4634 -935.5730 -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 22013.9873 20024.3738 5712.1700 168.1897 -338096.9205 23149.4490 0.0000 0.0000 44626.3101 -222402.4405 162.3383 -267028.7506 -222047.3914 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3705 20188.6727 5710.3547 168.1086 -338651.2108 23176.0844 0.0000 0.0000 45177.9912 -222461.6287 164.3451 -267639.6200 -222065.9060 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9074 20275.9667 5710.3763 168.4633 -338164.0645 23162.2909 0.0000 0.0000 45192.9285 -222453.1313 164.3995 -267646.0599 -222052.5984 164.3995 -3187.3736 -2272.1276 921491.4634 -3187.3736 -2272.1276
ENERGY: 434 20730.3416 20338.1502 5711.6061 169.3247 -337394.2711 23140.7734 0.0000 0.0000 44883.0998 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3110 -2227.7885 921491.4634 -2694.3110 -2227.7885
ENERGY: 435 20235.2203 20362.4017 5714.0003 170.8455 -336680.6561 23123.4097 0.0000 0.0000 44675.9839 -222398.7947 162.5190 -267074.7786 -222049.5891 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9242 20349.9983 5717.2345 173.0864 -336303.8816 23119.9078 0.0000 0.0000 44847.0984 -222425.6319 163.1414 -267272.7303 -222059.6961 163.1414 -1520.6597 -2145.1616 921491.4634 -1520.6597 -2145.1616
ENERGY: 437 19434.5513 20329.5094 5720.9893 175.9827 -336411.9787 23136.3869 0.0000 0.0000 45159.2688 -222455.2903 164.2770 -267614.5591 -222050.7505 164.2770 -1319.1166 -2134.4847 921491.4634 -1319.1166 -2134.4847
ENERGY: 438 19935.1529 20278.6097 5724.6884 179.3848 -336899.4577 23173.5521 0.0000 0.0000 45148.1323 -222459.9376 164.2365 -267608.0698 -222051.5670 164.2365 -1493.0937 -2145.0879 921491.4634 -1493.0937 -2145.0879
ENERGY: 439 21052.7405 20184.4297 5727.7929 183.0561 -337561.7720 23224.7484 0.0000 0.0000 44760.8208 -222428.1834 162.8276 -267189.0043 -222052.7967 162.8276 -1936.1985 -2169.8745 921491.4634 -1936.1985 -2169.8745
TIMING: 440 CPU: 207.4, 0.459393/step Wall: 207.4, 0.459393/step, 0.00765654 hours remaining, 3223.835938 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
ENERGY: 440 22071.5683 20036.2372 5729.7527 186.7201 -338123.1807 23276.2489 0.0000 0.0000 44417.5456 -222405.1079 161.5788 -266822.6535 -222059.4773 161.5788 -2408.4610 -2197.9669 921491.4634 -2408.4610 -2197.9669
ENERGY: 441 22355.5486 19860.0409 5730.3488 190.1145 -338361.1717 23313.2048 0.0000 0.0000 44502.6962 -222409.2178 161.8886 -266911.9140 -222050.0859 161.8886 -2716.1026 -2221.5311 921491.4634 -2716.1026 -2221.5311
ENERGY: 442 21853.6118 19664.5348 5729.4854 192.9411 -338090.1536 23327.1572 0.0000 0.0000 44880.6319 -222441.7913 163.2634 -267322.4232 -222049.7755 163.2634 -2710.5575 -2229.0694 921491.4634 -2710.5575 -2229.0694
ENERGY: 443 21064.3318 19487.0721 5727.6164 194.9329 -337369.3154 23320.0162 0.0000 0.0000 45118.1106 -222457.2354 164.1273 -267575.3460 -222048.5995 164.1273 -2448.1648 -2220.3529 921491.4634 -2448.1648 -2220.3529
ENERGY: 444 20449.3366 19357.2687 5725.4095 195.8735 -336464.1928 23301.5281 0.0000 0.0000 44987.7176 -222447.0588 163.6530 -267434.7763 -222057.9797 163.6530 -2090.2099 -2206.4396 921491.4634 -2090.2099 -2206.4396
ENERGY: 445 20125.5610 19307.2515 5723.6513 195.6942 -335759.3919 23283.8144 0.0000 0.0000 44708.7154 -222414.7041 162.6380 -267123.4195 -222046.5428 162.6380 -1846.9624 -2201.6922 921491.4634 -1846.9624 -2201.6922
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5714 23276.0456 0.0000 0.0000 44620.2945 -222408.7839 162.3164 -267029.0784 -222046.1620 162.3164 -1800.7515 -2216.7290 921491.4634 -1800.7515 -2216.7290
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8642 -335769.4405 23282.7464 0.0000 0.0000 44816.5088 -222425.8050 163.0301 -267242.3138 -222046.8343 163.0301 -1993.3108 -2253.0600 921491.4634 -1993.3108 -2253.0600
ENERGY: 448 20187.5920 19583.6800 5722.5765 188.5554 -336503.1812 23303.8910 0.0000 0.0000 45065.6674 -222451.2190 163.9365 -267516.8863 -222059.3485 163.9365 -2372.1876 -2303.7898 921491.4634 -2372.1876 -2303.7898
ENERGY: 449 20877.4059 19832.6987 5723.5713 184.8596 -337500.9085 23334.5930 0.0000 0.0000 45101.1677 -222446.6123 164.0657 -267547.7800 -222047.7103 164.0657 -2827.1079 -2356.1407 921491.4634 -2827.1079 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1302 5724.4776 181.0898 -338419.3265 23364.6250 0.0000 0.0000 44854.3095 -222432.2090 163.1677 -267286.5186 -222048.7865 163.1677 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5903 20357.7257 5724.7144 177.6517 -338952.0926 23381.8014 0.0000 0.0000 44542.6987 -222411.9104 162.0341 -266954.6091 -222048.8250 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2017 20536.0136 5723.8953 174.8859 -338927.1552 23378.0951 0.0000 0.0000 44452.9197 -222415.1439 161.7075 -266868.0636 -222059.6370 161.7075 -2659.9605 -2384.7566 921491.4634 -2659.9605 -2384.7566
ENERGY: 453 21399.8729 20641.1313 5722.2879 173.1350 -338392.7949 23354.5915 0.0000 0.0000 44683.7033 -222418.0729 162.5470 -267101.7763 -222043.5371 162.5470 -2048.3339 -2342.4666 921491.4634 -2048.3339 -2342.4666
ENERGY: 454 20248.3385 20654.1375 5720.2217 172.3637 -337567.1428 23320.6909 0.0000 0.0000 45008.1464 -222443.2441 163.7273 -267451.3905 -222041.8390 163.7273 -1453.4580 -2293.1449 921491.4634 -1453.4580 -2293.1449
ENERGY: 455 19486.7909 20584.7122 5718.4844 172.5169 -336790.6464 23290.4031 0.0000 0.0000 45086.5787 -222451.1602 164.0126 -267537.7389 -222040.8569 164.0126 -1151.8824 -2255.8570 921491.4634 -1151.8824 -2255.8570
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4249 -336350.1085 23274.9639 0.0000 0.0000 44811.4723 -222438.4396 163.0118 -267249.9119 -222055.3487 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4927 20251.9436 5718.5580 174.9241 -336395.8172 23277.8282 0.0000 0.0000 44521.8702 -222403.2003 161.9583 -266925.0705 -222049.4133 161.9583 -1906.4162 -2263.5011 921491.4634 -1906.4162 -2263.5011
ENERGY: 458 20585.8433 20019.2723 5720.7061 176.6081 -336835.0964 23294.7181 0.0000 0.0000 44632.7885 -222405.1600 162.3618 -267037.9485 -222051.2823 162.3618 -2684.6983 -2301.0425 921491.4634 -2684.6983 -2301.0425
ENERGY: 459 20903.4945 19784.9689 5724.0021 178.1985 -337468.1647 23318.6991 0.0000 0.0000 45113.9363 -222444.8653 164.1121 -267558.8016 -222053.1412 164.1121 -3350.5828 -2341.5794 921491.4634 -3350.5828 -2341.5794
TIMING: 460 CPU: 216.585, 0.459253/step Wall: 216.585, 0.459253/step, 0.00510281 hours remaining, 3223.835938 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
ENERGY: 460 21262.6139 19597.9062 5728.0972 179.4910 -338014.3770 23341.8009 0.0000 0.0000 45423.8561 -222480.6117 165.2395 -267904.4678 -222064.6836 165.2395 -3669.8199 -2365.2410 921491.4634 -3669.8199 -2365.2410
ENERGY: 461 21862.8763 19507.1073 5732.5753 180.4333 -338251.6218 23355.3943 0.0000 0.0000 45154.6134 -222458.6219 164.2601 -267613.2354 -222058.0507 164.2601 -3556.1664 -2361.1797 921491.4634 -3556.1664 -2361.1797
ENERGY: 462 22264.2257 19487.8105 5736.4823 180.9531 -337988.7172 23351.1093 0.0000 0.0000 44559.9288 -222408.2075 162.0968 -266968.1363 -222056.7214 162.0968 -2954.8199 -2323.4249 921491.4634 -2954.8199 -2323.4249
ENERGY: 463 21821.1793 19513.9012 5738.9361 181.1160 -337284.1030 23326.9485 0.0000 0.0000 44313.4567 -222388.5652 161.2002 -266702.0220 -222054.6242 161.2002 -2012.4424 -2264.0776 921491.4634 -2012.4424 -2264.0776
ENERGY: 464 20535.2462 19559.9269 5739.2518 181.0096 -336389.3839 23291.1949 0.0000 0.0000 44654.0262 -222428.7283 162.4391 -267082.7545 -222058.5727 162.4391 -1050.9226 -2205.5265 921491.4634 -1050.9226 -2205.5265
ENERGY: 465 19322.7828 19631.8852 5737.2899 180.7155 -335701.1532 23259.7398 0.0000 0.0000 45094.5683 -222474.1718 164.0416 -267568.7401 -222052.9386 164.0416 -512.3345 -2174.4005 921491.4634 -512.3345 -2174.4005
ENERGY: 466 19088.4510 19708.3580 5733.2107 180.2808 -335443.7724 23245.0610 0.0000 0.0000 45020.7904 -222467.6205 163.7733 -267488.4109 -222052.9784 163.7733 -630.3311 -2182.6707 921491.4634 -630.3311 -2182.6707
ENERGY: 467 19841.8068 19783.1742 5727.6704 179.7757 -335721.0950 23249.4536 0.0000 0.0000 44523.6662 -222415.5481 161.9649 -266939.2143 -222054.3493 161.9649 -1393.6025 -2232.5920 921491.4634 -1393.6025 -2232.5920
ENERGY: 468 20761.8480 19845.4943 5721.5089 179.2779 -336451.5671 23265.8132 0.0000 0.0000 44291.6584 -222385.9664 161.1209 -266677.6248 -222056.3592 161.1209 -2508.6712 -2314.1339 921491.4634 -2508.6712 -2314.1339
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3210 23284.3968 0.0000 0.0000 44720.3202 -222412.5674 162.6802 -267132.8876 -222046.0751 162.6802 -3596.7403 -2405.7972 921491.4634 -3596.7403 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8936 5710.9491 178.5947 -338383.2520 23297.0679 0.0000 0.0000 45346.4577 -222466.1158 164.9579 -267812.5734 -222047.6090 164.9579 -4259.6993 -2477.6831 921491.4634 -4259.6993 -2477.6831
ENERGY: 471 21732.8680 20054.6837 5707.9626 178.5890 -338913.2468 23297.5092 0.0000 0.0000 45471.3371 -222470.2972 165.4122 -267941.6343 -222047.5360 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2364 20161.5554 5707.0091 178.9047 -338870.6787 23279.4498 0.0000 0.0000 45028.5302 -222433.9931 163.8014 -267462.5234 -222059.5060 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1366 20289.3429 5707.9843 179.6165 -338307.7213 23240.7371 0.0000 0.0000 44634.5179 -222389.3861 162.3681 -267023.9041 -222043.8542 162.3681 -2556.3619 -2408.1658 921491.4634 -2556.3619 -2408.1658
ENERGY: 474 20842.9708 20372.0989 5710.2160 180.7467 -337438.4575 23189.2355 0.0000 0.0000 44733.2312 -222409.9584 162.7272 -267143.1896 -222041.2622 162.7272 -1295.5528 -2316.2728 921491.4634 -1295.5528 -2316.2728
ENERGY: 475 19674.2083 20371.7677 5712.9876 182.2512 -336604.2335 23142.3825 0.0000 0.0000 45070.2144 -222450.4219 163.9531 -267520.6362 -222039.4532 163.9531 -344.6451 -2232.2126 921491.4634 -344.6451 -2232.2126
ENERGY: 476 19235.7864 20282.0277 5715.7683 184.0125 -336100.0918 23115.8474 0.0000 0.0000 45106.0637 -222460.5858 164.0835 -267566.6496 -222053.6135 164.0835 -92.4049 -2183.0652 921491.4634 -92.4049 -2183.0652
ENERGY: 477 19704.7250 20145.9815 5718.4976 185.9230 -336101.8801 23114.2947 0.0000 0.0000 44812.3212 -222420.1371 163.0149 -267232.4583 -222044.8408 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4775 19974.7639 5721.0254 187.7262 -336537.4045 23131.2467 0.0000 0.0000 44627.0336 -222402.1311 162.3409 -267029.1647 -222047.4104 162.3409 -1807.1600 -2198.7954 921491.4634 -1807.1600 -2198.7954
ENERGY: 479 21125.3057 19793.3956 5723.3295 189.2099 -337215.5844 23156.6779 0.0000 0.0000 44802.1580 -222425.5079 162.9779 -267227.6659 -222050.5457 162.9779 -3089.8511 -2246.7915 921491.4634 -3089.8511 -2246.7915
TIMING: 480 CPU: 225.774, 0.459472/step Wall: 225.774, 0.459472/step, 0.00255262 hours remaining, 3223.835938 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
ENERGY: 480 21624.0326 19623.1963 5725.3111 190.1901 -337854.6790 23181.5125 0.0000 0.0000 45051.6815 -222458.7548 163.8856 -267510.4364 -222064.6208 163.8856 -4077.7322 -2291.4890 921491.4634 -4077.7322 -2291.4890
ENERGY: 481 22092.4854 19510.0431 5727.0952 190.6351 -338199.2483 23196.7965 0.0000 0.0000 45041.3367 -222440.8561 163.8480 -267482.1929 -222052.5264 163.8480 -4466.2391 -2305.6730 921491.4634 -4466.2391 -2305.6730
ENERGY: 482 22186.3469 19466.6792 5728.4964 190.3598 -338044.5420 23192.7480 0.0000 0.0000 44865.8518 -222414.0599 163.2096 -267279.9116 -222051.4111 163.2096 -4059.3096 -2278.0613 921491.4634 -4059.3096 -2278.0613
ENERGY: 483 21553.1415 19511.5744 5729.5660 189.3227 -337426.2185 23165.8746 0.0000 0.0000 44861.8966 -222414.8428 163.1952 -267276.7393 -222048.7670 163.1952 -2964.1722 -2216.4113 921491.4634 -2964.1722 -2216.4113
ENERGY: 484 20460.8928 19631.1939 5730.2465 187.5455 -336590.8887 23126.1357 0.0000 0.0000 45003.6026 -222451.2719 163.7107 -267454.8745 -222059.8744 163.7107 -1565.2426 -2143.1848 921491.4634 -1565.2426 -2143.1848
ENERGY: 485 19688.7723 19800.2992 5730.5256 185.2458 -335902.5868 23092.8475 0.0000 0.0000 44955.5717 -222449.3247 163.5360 -267404.8964 -222045.9608 163.5360 -422.1571 -2086.8735 921491.4634 -422.1571 -2086.8735
ENERGY: 486 19602.5429 19954.8177 5729.7198 182.4662 -335612.3567 23080.3811 0.0000 0.0000 44645.9107 -222416.5183 162.4096 -267062.4291 -222044.6762 162.4096 87.3180 -2070.0981 921491.4634 87.3180 -2070.0981
ENERGY: 487 19881.0925 20072.0213 5727.4348 179.4360 -335846.4479 23091.0547 0.0000 0.0000 44503.3485 -222392.0601 161.8910 -266895.4086 -222045.2409 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2097 20156.1361 5723.5441 176.4338 -336552.5444 23118.8619 0.0000 0.0000 44827.0550 -222425.3039 163.0685 -267252.3589 -222057.1937 163.0685 -1145.7530 -2194.6678 921491.4634 -1145.7530 -2194.6678
ENERGY: 489 20526.8869 20236.4608 5718.5749 173.8639 -337540.4646 23156.7311 0.0000 0.0000 45266.0999 -222461.8471 164.6656 -267727.9469 -222045.6083 164.6656 -2511.2400 -2316.7065 921491.4634 -2511.2400 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9021 5712.8912 171.8438 -338458.1352 23196.4878 0.0000 0.0000 45213.5624 -222459.6991 164.4745 -267673.2615 -222048.2205 164.4745 -3823.4034 -2437.4153 921491.4634 -3823.4034 -2437.4153
ENERGY: 491 22430.4639 20312.1360 5707.3795 170.5404 -338984.5785 23226.0937 0.0000 0.0000 44733.0084 -222404.9566 162.7264 -267137.9650 -222049.4636 162.7264 -4629.6931 -2524.6214 921491.4634 -4629.6931 -2524.6214
ENERGY: 492 22612.9546 20289.6811 5702.9944 170.0208 -338937.5812 23232.7204 0.0000 0.0000 44542.1947 -222387.0151 162.0323 -266929.2098 -222060.3861 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3201 -338358.0631 23214.0534 0.0000 0.0000 45033.8227 -222420.1326 163.8207 -267453.9553 -222046.5901 163.8207 -3796.3822 -2540.0997 921491.4634 -3796.3822 -2540.0997
ENERGY: 494 20068.3368 20225.0263 5700.9806 171.2193 -337454.3833 23183.0792 0.0000 0.0000 45622.2472 -222483.4940 165.9612 -268105.7412 -222044.0868 165.9612 -2500.8997 -2482.1070 921491.4634 -2500.8997 -2482.1070
ENERGY: 495 19383.2466 20186.8303 5703.5926 172.5416 -336566.9885 23159.4621 0.0000 0.0000 45484.1227 -222477.1925 165.4587 -267961.3152 -222041.5564 165.4587 -1249.6843 -2407.3058 921491.4634 -1249.6843 -2407.3058
ENERGY: 496 19722.4836 20130.6474 5708.0350 174.0933 -335998.7149 23154.2631 0.0000 0.0000 44699.5267 -222409.6656 162.6046 -267109.1924 -222049.0667 162.6046 -478.9000 -2343.4751 921491.4634 -478.9000 -2343.4751
ENERGY: 497 20212.6668 20059.9177 5713.4613 175.7242 -335952.5033 23166.3540 0.0000 0.0000 44261.0288 -222363.3507 161.0095 -266624.3794 -222042.7497 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0163 19957.1215 5718.5597 177.2604 -336366.4922 23189.3578 0.0000 0.0000 44728.2535 -222413.9230 162.7091 -267142.1765 -222044.5216 162.7091 -993.4678 -2331.6474 921491.4634 -993.4678 -2331.6474
ENERGY: 499 20158.0677 19847.7307 5722.4090 178.6361 -337058.4812 23219.2396 0.0000 0.0000 45439.2645 -222493.1336 165.2956 -267932.3981 -222047.2059 165.2956 -2020.8686 -2376.3392 921491.4634 -2020.8686 -2376.3392
Info: Benchmark time: 4 CPUs 0.458722 s/step 5.30928 days/ns 3223.84 MB memory
TIMING: 500 CPU: 234.884, 0.455456/step Wall: 234.884, 0.455456/step, 0 hours remaining, 3223.835938 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
ENERGY: 500 20974.8937 19756.6581 5724.4523 179.8271 -337741.4184 23251.1000 0.0000 0.0000 45359.0778 -222495.4093 165.0039 -267854.4871 -222061.0911 165.0039 -3197.5168 -2425.4145 921491.4634 -3197.5168 -2425.4145
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, 3229.129 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.129 MB of memory in use
====================================================
WallClock: 242.041870 CPUTime: 242.041870 Memory: 3229.128906 MB
[Partition 0][Node 0] End of program
Application 1111191 resources: utime ~950s, stime ~19s, Rss ~126656, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.041870
CPU=242.041870
MEM=3229.128906
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 10:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 18 10:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 18 10:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 18 10:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189490 Dec 18 10:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 18 10:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 18 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 18 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 18 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 18 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 18 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 18 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 18 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 18 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 18 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/jenkins5607317610376579273.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}
