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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 ============== 54.5432
LDB: Largest compute 200 load 0.434288 is 1.2% of average load 36.835281
LDB: Average compute 0.051601 is 0.1% of average load 36.835281
LDB: Partitioning computes with target load 3.683528
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055503
LDB: ============== END OF LOAD BALANCING =============== 54.5453
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5462
Info: Initial time: 4 CPUs 0.473794 s/step 5.48372 days/ns 3221.5 MB memory
TIMING: 100 CPU: 48.3501, 0.472869/step Wall: 48.3501, 0.472869/step, 0.052541 hours remaining, 3221.500000 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 ============== 63.9844
LDB: ============== END OF LOAD BALANCING =============== 63.9845
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9849
TIMING: 120 CPU: 57.7867, 0.471831/step Wall: 57.7867, 0.471831/step, 0.0498043 hours remaining, 3221.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8378 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2169, 0.471508/step Wall: 67.2169, 0.471508/step, 0.0471508 hours remaining, 3221.843750 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: 76.6377, 0.471041/step Wall: 76.6377, 0.471041/step, 0.0444872 hours remaining, 3222.003906 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: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1569 -222149.7708 154.5754 -1735.9906 -2933.5977 921491.4634 -1735.9906 -2933.5977
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.0475, 0.470491/step Wall: 86.0475, 0.470491/step, 0.0418214 hours remaining, 3222.160156 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: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2888 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0057 -222222.0802 154.4178 -264671.0859 -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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ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3655 -222242.4587 154.8738 -264816.8243 -222086.7180 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4998 21161.1534 0.0000 0.0000 43911.2865 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.654
LDB: Largest compute 200 load 0.429513 is 1.2% of average load 36.654246
LDB: Average compute 0.051345 is 0.1% of average load 36.654246
LDB: TIME 101.656 LOAD: AVG 36.6542 MAX 37.6686 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.45 MB
LDB: TIME 101.658 LOAD: AVG 36.6542 MAX 37.5501 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.45 MB
LDB: ============== END OF LOAD BALANCING =============== 101.66
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.663
Info: Initial time: 4 CPUs 0.471027 s/step 5.45171 days/ns 3223.72 MB memory
TIMING: 200 CPU: 95.4628, 0.470762/step Wall: 95.4628, 0.470762/step, 0.0392302 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8943 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9791 21289.9002 0.0000 0.0000 42143.6914 -222226.4458 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2414 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
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 -336615.7769 21385.1096 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8928 21415.1478 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2708 19730.8222 5710.0296 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1639 -222249.7028 156.4046 -265244.8667 -222104.2320 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2158 19524.5248 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2255 -222097.3837 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5773 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6745 -222527.8919 164.7987 -267830.5663 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4837 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5104 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6758 21497.2707 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0709 21596.8810 0.0000 0.0000 45751.9296 -222644.4007 166.4329 -268396.3303 -222073.1719 166.4329 -4457.7332 -2810.5236 921491.4634 -4457.7332 -2810.5236
TIMING: 220 CPU: 104.887, 0.471231/step Wall: 104.887, 0.471231/step, 0.0366513 hours remaining, 3223.718750 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: 114.301, 0.470697/step Wall: 114.301, 0.470697/step, 0.0339948 hours remaining, 3223.718750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7715 20111.8208 5758.5348 169.0441 -335904.8196 21831.0569 0.0000 0.0000 43526.8721 -222396.7195 158.3388 -265923.5916 -222063.5735 158.3388 -4623.1687 -2633.0912 921491.4634 -4623.1687 -2633.0912
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ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1209 21705.0852 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5288 19979.6440 5712.7400 177.5412 -334802.1846 21719.8456 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1357 21746.4313 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -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: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5976 21757.6849 0.0000 0.0000 43181.1612 -222297.2440 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
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TIMING: 260 CPU: 123.706, 0.470236/step Wall: 123.706, 0.470236/step, 0.0313491 hours remaining, 3224.023438 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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ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7242 -2664.5955 921491.4634 -2130.7242 -2664.5955
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4858 21930.8376 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4236 -2662.6782 921491.4634 -2435.4236 -2662.6782
ENERGY: 268 19962.9162 20375.7515 5700.1930 187.9286 -335513.7453 21959.1259 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9167 5690.3173 187.1618 -336650.6777 22028.8072 0.0000 0.0000 44308.0076 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3632 -2617.7582 921491.4634 -3583.3632 -2617.7582
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ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9681 -2501.8804 921491.4634 -2551.9681 -2501.8804
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7011 21985.5297 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1973 -2434.6759 921491.4634 -1837.1973 -2434.6759
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ENERGY: 276 19401.8502 19594.7506 5701.2547 182.4904 -333292.1283 21971.0411 0.0000 0.0000 44028.5271 -222412.2142 160.1637 -266440.7413 -222072.9396 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2973 19724.7158 5695.5210 182.9396 -333864.3455 21997.2388 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6330 -222061.0989 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7758 5686.9122 183.6585 -334821.1005 22041.3360 0.0000 0.0000 44532.2539 -222463.7063 161.9961 -266995.9602 -222063.4132 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3649 19593.9429 5677.5176 184.5187 -335888.5801 22096.4201 0.0000 0.0000 43975.0879 -222376.7281 159.9693 -266351.8159 -222065.2025 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.104, 0.469916/step Wall: 133.104, 0.469916/step, 0.0287171 hours remaining, 3224.023438 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
ENERGY: 280 22859.3230 19458.4365 5670.0026 185.3899 -336752.6630 22145.1356 0.0000 0.0000 44066.7336 -222367.6419 160.3027 -266434.3755 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7897 19615.5379 5669.9796 186.8360 -336942.5031 22176.7656 0.0000 0.0000 45823.3366 -222526.2578 166.6927 -268349.5944 -222063.3316 166.6927 -2992.3269 -2779.3667 921491.4634 -2992.3269 -2779.3667
ENERGY: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9198 22171.0650 0.0000 0.0000 45328.8516 -222487.2587 164.8939 -267816.1103 -222060.8460 164.8939 -2008.7734 -2748.2305 921491.4634 -2008.7734 -2748.2305
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1964 22167.0167 0.0000 0.0000 43418.2627 -222354.5545 157.9437 -265772.8172 -222053.5966 157.9437 -1010.8436 -2700.0819 921491.4634 -1010.8436 -2700.0819
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8229 -334658.1148 22176.6865 0.0000 0.0000 43785.6878 -222425.2212 159.2803 -266210.9090 -222054.0582 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1480 22200.2912 0.0000 0.0000 44282.9434 -222485.6059 161.0892 -266768.5493 -222055.7253 161.0892 -2148.9613 -2753.3343 921491.4634 -2148.9613 -2753.3343
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3148 22237.9039 0.0000 0.0000 44116.9901 -222455.2376 160.4855 -266572.2276 -222066.9053 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.719
LDB: Largest compute 200 load 0.521349 is 1.1% of average load 45.735688
LDB: Average compute 0.064061 is 0.1% of average load 45.735688
LDB: TIME 148.721 LOAD: AVG 45.7357 MAX 47.0567 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.22 MB
LDB: TIME 148.722 LOAD: AVG 45.7357 MAX 47.0567 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.22 MB
LDB: TIME 148.736 LOAD: AVG 45.7357 MAX 46.2564 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: ============== END OF LOAD BALANCING =============== 148.737
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.738
Info: Initial time: 4 CPUs 0.470269 s/step 5.44292 days/ns 3224.22 MB memory
TIMING: 300 CPU: 142.509, 0.470212/step Wall: 142.509, 0.470212/step, 0.0261229 hours remaining, 3224.222656 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: 151.736, 0.461382/step Wall: 151.736, 0.461382/step, 0.0230691 hours remaining, 3224.222656 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: 160.957, 0.461035/step Wall: 160.957, 0.461035/step, 0.0204905 hours remaining, 3224.222656 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: 170.175, 0.460888/step Wall: 170.175, 0.460888/step, 0.0179234 hours remaining, 3224.222656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2279 22821.5838 0.0000 0.0000 44474.7536 -222423.6622 161.7869 -266898.4158 -222044.3969 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.383, 0.460411/step Wall: 179.383, 0.460411/step, 0.015347 hours remaining, 3224.222656 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 19220.9462 5707.6637 175.9385 -334865.1812 22880.7954 0.0000 0.0000 44519.8585 -222378.7515 161.9510 -266898.6100 -222051.0437 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2860 19202.4842 5710.9354 174.6759 -335109.8719 22905.2739 0.0000 0.0000 44377.1816 -222372.0349 161.4320 -266749.2164 -222053.0049 161.4320 -738.9586 -2019.1690 921491.4634 -738.9586 -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 19692.8115 20133.3593 5716.9814 176.0456 -336812.3373 23014.0574 0.0000 0.0000 45592.7325 -222486.3496 165.8538 -268079.0821 -222045.7222 165.8538 -1710.2240 -2443.6968 921491.4634 -1710.2240 -2443.6968
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LDB: ============= START OF LOAD BALANCING ============== 194.827
LDB: Largest compute 230 load 0.528866 is 1.2% of average load 45.715734
LDB: Average compute 0.064021 is 0.1% of average load 45.715734
LDB: TIME 194.829 LOAD: AVG 45.7157 MAX 46.0889 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.22 MB
LDB: TIME 194.83 LOAD: AVG 45.7157 MAX 46.0889 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: TIME 194.83 LOAD: AVG 45.7157 MAX 46.0889 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: ============== END OF LOAD BALANCING =============== 194.83
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.831
Info: Benchmark time: 4 CPUs 0.460822 s/step 5.33359 days/ns 3224.22 MB memory
TIMING: 400 CPU: 188.595, 0.460594/step Wall: 188.595, 0.460594/step, 0.0127943 hours remaining, 3224.222656 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 19735.8471 19387.6643 5692.2151 187.5226 -335902.8214 23017.8160 0.0000 0.0000 45394.4127 -222487.3436 165.1324 -267881.7562 -222063.5315 165.1324 -920.8287 -2294.1561 921491.4634 -920.8287 -2294.1561
ENERGY: 409 20350.1188 19376.4606 5688.4775 191.1593 -336896.6842 23057.9909 0.0000 0.0000 45733.6063 -222498.8707 166.3663 -268232.4770 -222051.6708 166.3663 -2367.4925 -2346.9330 921491.4634 -2367.4925 -2346.9330
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 -336157.5860 23063.1707 0.0000 0.0000 44200.2856 -222384.0421 160.7885 -266584.3277 -222052.9644 160.7885 -282.7617 -2224.6900 921491.4634 -282.7617 -2224.6900
ENERGY: 417 20031.3749 20631.3209 5709.0494 192.4696 -336373.1073 23072.1092 0.0000 0.0000 44338.4624 -222398.3209 161.2911 -266736.7833 -222044.6993 161.2911 -112.4556 -2227.1701 921491.4634 -112.4556 -2227.1701
ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6537 -336970.7865 23098.6721 0.0000 0.0000 44915.1425 -222450.9778 163.3889 -267366.1203 -222046.7093 163.3889 -671.8548 -2269.9923 921491.4634 -671.8548 -2269.9923
ENERGY: 419 20790.7631 20185.5523 5700.4810 184.6055 -337717.8753 23139.8019 0.0000 0.0000 45250.3102 -222466.3613 164.6082 -267716.6715 -222049.5950 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 197.779, 0.459191/step Wall: 197.779, 0.459191/step, 0.0102042 hours remaining, 3224.222656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5317 19595.2901 5707.1504 168.7509 -335498.4319 23074.5009 0.0000 0.0000 44915.2770 -222438.9307 163.3894 -267354.2078 -222048.7335 163.3894 -741.9009 -2207.6353 921491.4634 -741.9009 -2207.6353
ENERGY: 428 20140.4230 19760.4173 5710.4628 168.5259 -336199.9853 23087.7680 0.0000 0.0000 44884.2588 -222448.1295 163.2766 -267332.3884 -222058.0548 163.2766 -935.5732 -2206.9582 921491.4634 -935.5732 -2206.9582
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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 20024.3739 5712.1700 168.1897 -338096.9203 23149.4496 0.0000 0.0000 44626.3094 -222402.4405 162.3382 -267028.7499 -222047.3914 162.3382 -2472.2454 -2268.0463 921491.4634 -2472.2454 -2268.0463
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ENERGY: 432 21768.3703 20188.6725 5710.3546 168.1086 -338651.2098 23176.0849 0.0000 0.0000 45177.9905 -222461.6284 164.3451 -267639.6189 -222065.9057 164.3451 -3350.2738 -2296.1495 921491.4634 -3350.2738 -2296.1495
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0635 23162.2914 0.0000 0.0000 45192.9278 -222453.1310 164.3995 -267646.0588 -222052.5981 164.3995 -3187.3730 -2272.1274 921491.4634 -3187.3730 -2272.1274
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2702 23140.7739 0.0000 0.0000 44883.0992 -222420.9750 163.2724 -267304.0742 -222051.1461 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2202 20362.4016 5714.0003 170.8455 -336680.6555 23123.4101 0.0000 0.0000 44675.9835 -222398.7943 162.5189 -267074.7778 -222049.5888 162.5189 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9244 20349.9983 5717.2345 173.0864 -336303.8813 23119.9081 0.0000 0.0000 44847.0981 -222425.6316 163.1414 -267272.7297 -222059.6958 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5518 20329.5093 5720.9893 175.9827 -336411.9787 23136.3871 0.0000 0.0000 45159.2686 -222455.2900 164.2770 -267614.5586 -222050.7502 164.2770 -1319.1170 -2134.4847 921491.4634 -1319.1170 -2134.4847
ENERGY: 438 19935.1534 20278.6096 5724.6884 179.3848 -336899.4580 23173.5522 0.0000 0.0000 45148.1324 -222459.9372 164.2365 -267608.0697 -222051.5667 164.2365 -1493.0942 -2145.0880 921491.4634 -1493.0942 -2145.0880
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TIMING: 440 CPU: 206.959, 0.458996/step Wall: 206.959, 0.458996/step, 0.00764993 hours remaining, 3224.222656 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 -338123.1815 23276.2488 0.0000 0.0000 44417.5463 -222405.1080 161.5788 -266822.6543 -222059.4773 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5485 19860.0411 5730.3488 190.1145 -338361.1724 23313.2047 0.0000 0.0000 44502.6968 -222409.2179 161.8886 -266911.9147 -222050.0860 161.8886 -2716.1026 -2221.5314 921491.4634 -2716.1026 -2221.5314
ENERGY: 442 21853.6118 19664.5352 5729.4854 192.9411 -338090.1543 23327.1571 0.0000 0.0000 44880.6322 -222441.7914 163.2634 -267322.4236 -222049.7755 163.2634 -2710.5575 -2229.0696 921491.4634 -2710.5575 -2229.0696
ENERGY: 443 21064.3317 19487.0727 5727.6164 194.9329 -337369.3160 23320.0161 0.0000 0.0000 45118.1107 -222457.2354 164.1273 -267575.3461 -222048.5996 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3365 19357.2694 5725.4095 195.8735 -336464.1930 23301.5279 0.0000 0.0000 44987.7175 -222447.0588 163.6530 -267434.7762 -222057.9797 163.6530 -2090.2099 -2206.4398 921491.4634 -2090.2099 -2206.4398
ENERGY: 445 20125.5609 19307.2521 5723.6513 195.6942 -335759.3921 23283.8142 0.0000 0.0000 44708.7152 -222414.7041 162.6380 -267123.4193 -222046.5428 162.6380 -1846.9626 -2201.6924 921491.4634 -1846.9626 -2201.6924
ENERGY: 446 19947.6805 19324.9007 5722.5430 194.3235 -335494.5713 23276.0455 0.0000 0.0000 44620.2942 -222408.7839 162.3164 -267029.0781 -222046.1620 162.3164 -1800.7518 -2216.7292 921491.4634 -1800.7518 -2216.7292
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4401 23282.7462 0.0000 0.0000 44816.5084 -222425.8050 163.0301 -267242.3134 -222046.8343 163.0301 -1993.3112 -2253.0601 921491.4634 -1993.3112 -2253.0601
ENERGY: 448 20187.5921 19583.6797 5722.5765 188.5554 -336503.1797 23303.8908 0.0000 0.0000 45065.6670 -222451.2184 163.9365 -267516.8853 -222059.3479 163.9365 -2372.1877 -2303.7897 921491.4634 -2372.1877 -2303.7897
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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: 450 21754.4852 20108.1295 5724.4776 181.0897 -338419.3238 23364.6247 0.0000 0.0000 44854.3087 -222432.2084 163.1676 -267286.5171 -222048.7858 163.1676 -3116.6753 -2394.3894 921491.4634 -3116.6753 -2394.3894
ENERGY: 451 22355.5900 20357.7251 5724.7144 177.6516 -338952.0895 23381.8011 0.0000 0.0000 44542.6975 -222411.9098 162.0341 -266954.6073 -222048.8244 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2013 20536.0131 5723.8954 174.8859 -338927.1527 23378.0947 0.0000 0.0000 44452.9182 -222415.1442 161.7075 -266868.0624 -222059.6373 161.7075 -2659.9603 -2384.7566 921491.4634 -2659.9603 -2384.7566
ENERGY: 453 21399.8726 20641.1309 5722.2879 173.1350 -338392.7924 23354.5911 0.0000 0.0000 44683.7017 -222418.0732 162.5470 -267101.7750 -222043.5374 162.5470 -2048.3337 -2342.4667 921491.4634 -2048.3337 -2342.4667
ENERGY: 454 20248.3381 20654.1373 5720.2218 172.3637 -337567.1406 23320.6905 0.0000 0.0000 45008.1449 -222443.2444 163.7273 -267451.3893 -222041.8394 163.7273 -1453.4579 -2293.1449 921491.4634 -1453.4579 -2293.1449
ENERGY: 455 19486.7907 20584.7119 5718.4845 172.5169 -336790.6445 23290.4026 0.0000 0.0000 45086.5774 -222451.1605 164.0126 -267537.7379 -222040.8572 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1067 23274.9634 0.0000 0.0000 44811.4714 -222438.4395 163.0118 -267249.9109 -222055.3486 163.0118 -1305.5003 -2245.5821 921491.4634 -1305.5003 -2245.5821
ENERGY: 457 20047.4927 20251.9433 5718.5581 174.9241 -336395.8158 23277.8277 0.0000 0.0000 44521.8697 -222403.2003 161.9583 -266925.0700 -222049.4133 161.9583 -1906.4164 -2263.5011 921491.4634 -1906.4164 -2263.5011
ENERGY: 458 20585.8433 20019.2721 5720.7061 176.6081 -336835.0954 23294.7174 0.0000 0.0000 44632.7884 -222405.1599 162.3618 -267037.9484 -222051.2822 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.128, 0.458478/step Wall: 216.128, 0.458478/step, 0.0050942 hours remaining, 3224.222656 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 21262.6136 19597.9064 5728.0972 179.4910 -338014.3767 23341.8001 0.0000 0.0000 45423.8566 -222480.6118 165.2395 -267904.4684 -222064.6837 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
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ENERGY: 462 22264.2254 19487.8113 5736.4823 180.9531 -337988.7175 23351.1084 0.0000 0.0000 44559.9293 -222408.2076 162.0968 -266968.1369 -222056.7216 162.0968 -2954.8202 -2323.4253 921491.4634 -2954.8202 -2323.4253
ENERGY: 463 21821.1792 19513.9021 5738.9361 181.1160 -337284.1035 23326.9474 0.0000 0.0000 44313.4573 -222388.5654 161.2002 -266702.0227 -222054.6244 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2462 19559.9277 5739.2519 181.0096 -336389.3846 23291.1938 0.0000 0.0000 44654.0270 -222428.7284 162.4391 -267082.7555 -222058.5729 162.4391 -1050.9230 -2205.5271 921491.4634 -1050.9230 -2205.5271
ENERGY: 465 19322.7830 19631.8857 5737.2899 180.7155 -335701.1539 23259.7386 0.0000 0.0000 45094.5693 -222474.1719 164.0416 -267568.7412 -222052.9388 164.0416 -512.3350 -2174.4011 921491.4634 -512.3350 -2174.4011
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7729 23245.0598 0.0000 0.0000 45020.7915 -222467.6206 163.7733 -267488.4122 -222052.9785 163.7733 -630.3317 -2182.6713 921491.4634 -630.3317 -2182.6713
ENERGY: 467 19841.8070 19783.1741 5727.6704 179.7757 -335721.0951 23249.4523 0.0000 0.0000 44523.6674 -222415.5482 161.9649 -266939.2156 -222054.3495 161.9649 -1393.6032 -2232.5927 921491.4634 -1393.6032 -2232.5927
ENERGY: 468 20761.8482 19845.4939 5721.5090 179.2779 -336451.5665 23265.8118 0.0000 0.0000 44291.6594 -222385.9664 161.1209 -266677.6258 -222056.3592 161.1209 -2508.6716 -2314.1343 921491.4634 -2508.6716 -2314.1343
ENERGY: 469 21236.3016 19910.2017 5715.6824 178.8504 -337458.3198 23284.3953 0.0000 0.0000 44720.3210 -222412.5674 162.6802 -267132.8883 -222046.0751 162.6802 -3596.7409 -2405.7975 921491.4634 -3596.7409 -2405.7975
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 19972.8929 5710.9491 178.5947 -338383.2501 23297.0664 0.0000 0.0000 45346.4580 -222466.1158 164.9580 -267812.5738 -222047.6090 164.9580 -4259.6999 -2477.6835 921491.4634 -4259.6999 -2477.6835
ENERGY: 471 21732.8678 20054.6830 5707.9626 178.5890 -338913.2444 23297.5076 0.0000 0.0000 45471.3371 -222470.2972 165.4122 -267941.6343 -222047.5360 165.4122 -4290.5687 -2504.3179 921491.4634 -4290.5687 -2504.3179
ENERGY: 472 22081.2361 20161.5546 5707.0091 178.9047 -338870.6754 23279.4482 0.0000 0.0000 45028.5299 -222433.9927 163.8014 -267462.5227 -222059.5056 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1363 20289.3419 5707.9843 179.6165 -338307.7176 23240.7354 0.0000 0.0000 44634.5176 -222389.3857 162.3681 -267023.9033 -222043.8538 162.3681 -2556.3618 -2408.1659 921491.4634 -2556.3618 -2408.1659
ENERGY: 474 20842.9704 20372.0977 5710.2160 180.7466 -337438.4535 23189.2338 0.0000 0.0000 44733.2309 -222409.9580 162.7272 -267143.1888 -222041.2618 162.7272 -1295.5527 -2316.2730 921491.4634 -1295.5527 -2316.2730
ENERGY: 475 19674.2080 20371.7664 5712.9876 182.2512 -336604.2295 23142.3808 0.0000 0.0000 45070.2141 -222450.4214 163.9531 -267520.6356 -222039.4528 163.9531 -344.6451 -2232.2128 921491.4634 -344.6451 -2232.2128
ENERGY: 476 19235.7861 20282.0264 5715.7683 184.0125 -336100.0887 23115.8456 0.0000 0.0000 45106.0637 -222460.5861 164.0835 -267566.6498 -222053.6138 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7249 20145.9804 5718.4976 185.9230 -336101.8775 23114.2929 0.0000 0.0000 44812.3212 -222420.1374 163.0149 -267232.4586 -222044.8411 163.0149 -667.4949 -2171.8231 921491.4634 -667.4949 -2171.8231
ENERGY: 478 20493.4777 19974.7631 5721.0254 187.7262 -336537.4024 23131.2450 0.0000 0.0000 44627.0335 -222402.1314 162.3409 -267029.1650 -222047.4107 162.3409 -1807.1607 -2198.7959 921491.4634 -1807.1607 -2198.7959
ENERGY: 479 21125.3059 19793.3952 5723.3295 189.2099 -337215.5828 23156.6762 0.0000 0.0000 44802.1579 -222425.5082 162.9779 -267227.6662 -222050.5460 162.9779 -3089.8519 -2246.7921 921491.4634 -3089.8519 -2246.7921
TIMING: 480 CPU: 225.293, 0.458231/step Wall: 225.293, 0.458231/step, 0.00254573 hours remaining, 3224.222656 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 21624.0328 19623.1963 5725.3111 190.1900 -337854.6776 23181.5109 0.0000 0.0000 45051.6816 -222458.7548 163.8856 -267510.4364 -222064.6208 163.8856 -4077.7328 -2291.4894 921491.4634 -4077.7328 -2291.4894
ENERGY: 481 22092.4855 19510.0434 5727.0952 190.6351 -338199.2474 23196.7950 0.0000 0.0000 45041.3372 -222440.8561 163.8480 -267482.1932 -222052.5263 163.8480 -4466.2395 -2305.6735 921491.4634 -4466.2395 -2305.6735
ENERGY: 482 22186.3468 19466.6797 5728.4963 190.3598 -338044.5414 23192.7466 0.0000 0.0000 44865.8525 -222414.0598 163.2096 -267279.9123 -222051.4110 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1414 19511.5748 5729.5660 189.3226 -337426.2183 23165.8732 0.0000 0.0000 44861.8976 -222414.8427 163.1953 -267276.7403 -222048.7670 163.1953 -2964.1725 -2216.4119 921491.4634 -2964.1725 -2216.4119
ENERGY: 484 20460.8927 19631.1941 5730.2465 187.5455 -336590.8883 23126.1343 0.0000 0.0000 45003.6038 -222451.2715 163.7107 -267454.8753 -222059.8740 163.7107 -1565.2428 -2143.1852 921491.4634 -1565.2428 -2143.1852
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5865 23092.8462 0.0000 0.0000 44955.5732 -222449.3244 163.5360 -267404.8975 -222045.9604 163.5360 -422.1573 -2086.8739 921491.4634 -422.1573 -2086.8739
ENERGY: 486 19602.5427 19954.8177 5729.7197 182.4662 -335612.3567 23080.3800 0.0000 0.0000 44645.9124 -222416.5180 162.4096 -267062.4303 -222044.6758 162.4096 87.3177 -2070.0985 921491.4634 87.3177 -2070.0985
ENERGY: 487 19881.0925 20072.0213 5727.4347 179.4360 -335846.4480 23091.0538 0.0000 0.0000 44503.3501 -222392.0597 161.8910 -266895.4098 -222045.2405 161.8910 -192.2350 -2106.8843 921491.4634 -192.2350 -2106.8843
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5452 23118.8611 0.0000 0.0000 44827.0562 -222425.3041 163.0685 -267252.3603 -222057.1938 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8872 20236.4609 5718.5748 173.8639 -337540.4654 23156.7306 0.0000 0.0000 45266.1007 -222461.8473 164.6656 -267727.9480 -222045.6086 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -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 20292.9020 5712.8912 171.8438 -338458.1359 23196.4874 0.0000 0.0000 45213.5630 -222459.6994 164.4745 -267673.2623 -222048.2208 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4641 20312.1358 5707.3795 170.5404 -338984.5790 23226.0935 0.0000 0.0000 44733.0089 -222404.9569 162.7264 -267137.9658 -222049.4638 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9547 20289.6806 5702.9944 170.0208 -338937.5810 23232.7204 0.0000 0.0000 44542.1951 -222387.0150 162.0323 -266929.2101 -222060.3859 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2187 20260.7368 5700.7779 170.3200 -338358.0627 23214.0537 0.0000 0.0000 45033.8230 -222420.1326 163.8207 -267453.9556 -222046.5900 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0254 5700.9806 171.2193 -337454.3828 23183.0796 0.0000 0.0000 45622.2475 -222483.4939 165.9612 -268105.7414 -222044.0867 165.9612 -2500.8992 -2482.1068 921491.4634 -2500.8992 -2482.1068
ENERGY: 495 19383.2463 20186.8294 5703.5926 172.5416 -336566.9879 23159.4627 0.0000 0.0000 45484.1228 -222477.1925 165.4587 -267961.3153 -222041.5563 165.4587 -1249.6837 -2407.3055 921491.4634 -1249.6837 -2407.3055
ENERGY: 496 19722.4834 20130.6467 5708.0350 174.0933 -335998.7146 23154.2638 0.0000 0.0000 44699.5266 -222409.6657 162.6046 -267109.1923 -222049.0667 162.6046 -478.8997 -2343.4749 921491.4634 -478.8997 -2343.4749
ENERGY: 497 20212.6668 20059.9173 5713.4613 175.7242 -335952.5034 23166.3549 0.0000 0.0000 44261.0282 -222363.3508 161.0095 -266624.3790 -222042.7498 161.0095 -421.0231 -2316.7926 921491.4634 -421.0231 -2316.7926
ENERGY: 498 20182.0164 19957.1215 5718.5597 177.2604 -336366.4926 23189.3589 0.0000 0.0000 44728.2527 -222413.9231 162.7091 -267142.1758 -222044.5217 162.7091 -993.4677 -2331.6470 921491.4634 -993.4677 -2331.6470
ENERGY: 499 20158.0678 19847.7310 5722.4090 178.6361 -337058.4818 23219.2408 0.0000 0.0000 45439.2635 -222493.1336 165.2956 -267932.3971 -222047.2060 165.2956 -2020.8685 -2376.3388 921491.4634 -2020.8685 -2376.3388
Info: Benchmark time: 4 CPUs 0.45789 s/step 5.29965 days/ns 3224.22 MB memory
TIMING: 500 CPU: 234.384, 0.454562/step Wall: 234.384, 0.454562/step, 0 hours remaining, 3224.222656 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 19756.6587 5724.4523 179.8271 -337741.4189 23251.1012 0.0000 0.0000 45359.0767 -222495.4091 165.0039 -267854.4858 -222061.0909 165.0039 -3197.5166 -2425.4141 921491.4634 -3197.5166 -2425.4141
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, 3229.672 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.672 MB of memory in use
====================================================
WallClock: 241.507111 CPUTime: 241.507111 Memory: 3229.671875 MB
[Partition 0][Node 0] End of program
Application 1110181 resources: utime ~949s, stime ~19s, Rss ~127092, inblocks ~66552, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.507111
CPU=241.507111
MEM=3229.671875
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 06:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 15 06:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 15 06:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 15 06:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189503 Dec 15 06:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505293 Dec 15 06:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 06:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 15 06:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 15 06:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 15 06:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 15 06:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 15 06:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 15 06:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 15 06:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 15 06:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 15 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/jenkins12639606168492130111.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}
