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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 ============== 51.1377
LDB: Largest compute 200 load 0.428856 is 1.2% of average load 36.726354
LDB: Average compute 0.051463 is 0.1% of average load 36.726354
LDB: Partitioning computes with target load 3.672635
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055306
LDB: ============== END OF LOAD BALANCING =============== 51.1398
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.1407
Info: Initial time: 4 CPUs 0.473782 s/step 5.48359 days/ns 3219.34 MB memory
TIMING: 100 CPU: 48.3476, 0.472712/step Wall: 48.3476, 0.472712/step, 0.0525236 hours remaining, 3219.343750 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 ============== 60.5794
LDB: ============== END OF LOAD BALANCING =============== 60.5795
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.58
TIMING: 120 CPU: 57.7865, 0.47194/step Wall: 57.7865, 0.47194/step, 0.0498159 hours remaining, 3219.476562 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: 130 21553.6088 18898.7763 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1498 -222472.9665 163.0106 -267284.1163 -222216.5363 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9640 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2174, 0.471549/step Wall: 67.2174, 0.471549/step, 0.0471549 hours remaining, 3219.800781 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 20992.5977 17997.1577 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2514 -222551.1431 164.2224 -267695.3945 -222224.0360 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
ENERGY: 150 21015.8993 19956.3836 5767.3089 192.0924 -334899.3754 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1141 -222153.2665 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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TIMING: 160 CPU: 76.6367, 0.470965/step Wall: 76.6367, 0.470965/step, 0.04448 hours remaining, 3219.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6068 -222342.9103 156.6790 -265413.5171 -222161.4905 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6963 -222309.0504 156.4429 -265314.7467 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6891 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -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: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5398 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2973 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.044, 0.470363/step Wall: 86.044, 0.470363/step, 0.04181 hours remaining, 3219.988281 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 19266.0407 19234.9572 5686.4352 181.9571 -332240.0938 21043.7458 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4305 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0855 -222130.9078 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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ENERGY: 197 21700.3670 19122.7579 5714.1451 184.7200 -332668.2729 21129.4587 0.0000 0.0000 42574.3655 -222242.4587 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4995 21161.1532 0.0000 0.0000 43911.2864 -222391.0320 159.7372 -266302.3184 -222090.4391 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 98.2479
LDB: Largest compute 200 load 0.424611 is 1.2% of average load 36.545465
LDB: Average compute 0.051200 is 0.1% of average load 36.545465
LDB: TIME 98.2498 LOAD: AVG 36.5455 MAX 37.6678 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.39 MB
LDB: TIME 98.2519 LOAD: AVG 36.5455 MAX 37.4694 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.39 MB
LDB: ============== END OF LOAD BALANCING =============== 98.2538
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 98.2568
Info: Initial time: 4 CPUs 0.471026 s/step 5.45169 days/ns 3220.92 MB memory
TIMING: 200 CPU: 95.46, 0.470801/step Wall: 95.46, 0.470801/step, 0.0392334 hours remaining, 3220.917969 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: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3004 21243.2750 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8259 -2512.4435 921491.4634 -1046.8259 -2512.4435
ENERGY: 204 17862.6126 19486.9557 5734.1463 191.2124 -332722.2200 21188.8401 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4529 -222116.7002 165.9875 452.9931 -2462.2930 921491.4634 452.9931 -2462.2930
ENERGY: 205 18189.0792 19868.9415 5735.7153 189.6741 -332398.2552 21197.9184 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8061 162.5725 731.8533 -2447.6354 921491.4634 731.8533 -2447.6354
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ENERGY: 207 21693.8031 20338.2892 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1374 -222103.0933 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2701 20371.8904 5718.1572 182.8654 -334789.2373 21322.2409 0.0000 0.0000 44428.6270 -222472.1863 161.6191 -266900.8133 -222122.6312 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2408 21349.5043 0.0000 0.0000 46273.6801 -222642.3813 168.3309 -268916.0613 -222106.7898 168.3309 -5197.7272 -2836.6305 921491.4634 -5197.7272 -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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7763 21385.1094 0.0000 0.0000 45251.4334 -222516.0279 164.6123 -267767.4613 -222108.2013 164.6123 -6091.3661 -2896.2626 921491.4634 -6091.3661 -2896.2626
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8923 21415.1476 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8411 -222106.8539 156.5376 -5900.2976 -2885.1009 921491.4634 -5900.2976 -2885.1009
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1639 -222249.7027 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2161 19524.5248 5720.1722 175.9508 -334874.6443 21380.5550 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3119 -2725.0841 921491.4634 -2174.3119 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3936 21358.4484 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6588 -222093.7408 170.8220 -143.6687 -2626.0578 921491.4634 -143.6687 -2626.0578
ENERGY: 215 18210.5057 19441.9743 5746.5772 178.1492 -332787.3322 21379.5595 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0447 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4835 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6758 21497.2704 0.0000 0.0000 41983.6751 -222225.0684 152.7251 -264208.7435 -222064.4466 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1147 21546.6560 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2199 -222068.8156 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
ENERGY: 219 19429.8639 19413.3931 5754.3577 187.2447 -334778.0708 21596.8807 0.0000 0.0000 45751.9298 -222644.4008 166.4329 -268396.3307 -222073.1721 166.4329 -4457.7331 -2810.5237 921491.4634 -4457.7331 -2810.5237
TIMING: 220 CPU: 104.878, 0.470892/step Wall: 104.878, 0.470892/step, 0.036625 hours remaining, 3220.917969 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: 220 21580.9143 19260.1136 5743.1672 189.1021 -335473.8432 21655.3183 0.0000 0.0000 44539.5740 -222505.6537 162.0227 -267045.2277 -222092.6291 162.0227 -5898.3511 -2876.6578 921491.4634 -5898.3511 -2876.6578
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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: 230 21999.2454 20926.2537 5717.1889 185.9786 -336838.6562 21834.6450 0.0000 0.0000 43751.0553 -222424.2893 159.1543 -266175.3445 -222088.6908 159.1543 -4902.3779 -2766.0557 921491.4634 -4902.3779 -2766.0557
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ENERGY: 233 20035.6405 19318.2042 5703.4910 182.6157 -334889.2831 21760.7376 0.0000 0.0000 45350.0988 -222538.4952 164.9712 -267888.5941 -222089.6821 164.9712 -3899.2117 -2646.7387 921491.4634 -3899.2117 -2646.7387
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ENERGY: 237 20196.0057 18940.2031 5726.8243 176.7459 -333068.3186 21749.0156 0.0000 0.0000 43898.3781 -222381.1459 159.6902 -266279.5239 -222063.3604 159.6902 -172.1587 -2373.2011 921491.4634 -172.1587 -2373.2011
ENERGY: 238 19419.4412 19404.0884 5740.6977 175.0128 -333964.3151 21778.9043 0.0000 0.0000 44901.2438 -222544.9269 163.3384 -267446.1707 -222065.9777 163.3384 -987.6012 -2425.5309 921491.4634 -987.6012 -2425.5309
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TIMING: 240 CPU: 114.285, 0.470365/step Wall: 114.285, 0.470365/step, 0.0339708 hours remaining, 3220.917969 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: 240 22861.0418 20119.9136 5760.6910 171.4213 -335766.3624 21854.4253 0.0000 0.0000 42641.4777 -222357.3918 155.1180 -264998.8695 -222074.0952 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
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ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6447 5749.3614 168.8705 -335233.7069 21770.4748 0.0000 0.0000 45537.0690 -222575.9244 165.6513 -268112.9934 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3936 5737.4544 169.6534 -334482.6012 21720.5676 0.0000 0.0000 45629.1662 -222554.1193 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7300 -2573.2150 921491.4634 -2667.7300 -2573.2150
ENERGY: 245 20148.2369 19811.7601 5725.7785 171.4559 -334087.5949 21701.2470 0.0000 0.0000 44168.5248 -222360.5916 160.6730 -266529.1165 -222068.6365 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6228 -222090.3127 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
ENERGY: 250 23155.2055 20422.5256 5726.1009 188.5682 -336907.4408 21832.9289 0.0000 0.0000 43252.1659 -222329.9457 157.3395 -265582.1116 -222084.2878 157.3395 -3365.2094 -2722.3879 921491.4634 -3365.2094 -2722.3879
ENERGY: 251 24002.1397 20302.5996 5731.6573 191.5295 -336816.8447 21849.8673 0.0000 0.0000 42475.2392 -222263.8121 154.5132 -264739.0513 -222084.8989 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2175 -222091.3304 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8638 19667.1122 5729.5496 195.2411 -334977.1806 21784.0537 0.0000 0.0000 45520.0191 -222581.3411 165.5893 -268101.3602 -222082.7205 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0882 19348.2296 5720.5008 195.9622 -333839.8798 21752.6525 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4102 5707.6062 196.0620 -333099.9233 21746.1516 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0041 21780.2420 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0339 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
ENERGY: 259 20717.7707 18984.1030 5671.3007 192.3773 -335369.5278 21871.0067 0.0000 0.0000 45431.1554 -222501.8139 165.2661 -267932.9693 -222063.7306 165.2661 -2890.3669 -2780.4961 921491.4634 -2890.3669 -2780.4961
TIMING: 260 CPU: 123.682, 0.469866/step Wall: 123.682, 0.469866/step, 0.0313244 hours remaining, 3221.222656 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: 260 22744.9541 19188.2464 5675.1875 191.0393 -336169.7728 21924.7894 0.0000 0.0000 44083.4305 -222362.1255 160.3634 -266445.5560 -222069.6812 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
ENERGY: 261 23215.5571 19485.4657 5683.6413 189.7700 -336523.9799 21953.3903 0.0000 0.0000 43676.0233 -222320.1322 158.8814 -265996.1555 -222052.8235 158.8814 -3555.3693 -2822.8648 921491.4634 -3555.3693 -2822.8648
ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6345 -222438.8159 162.2485 -267040.4504 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9712 21924.4741 0.0000 0.0000 45349.7770 -222527.2803 164.9700 -267877.0573 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9512 21907.7773 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6633 21906.0164 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7495 -222054.3371 158.6326 -2038.0574 -2683.6034 921491.4634 -2038.0574 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8301 -222075.9874 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7812 19927.1702 5694.0390 187.7639 -336221.0661 21997.2161 0.0000 0.0000 44586.5099 -222431.5857 162.1935 -267018.0957 -222066.1972 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
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 -336650.6774 22028.8071 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7891 22035.2501 0.0000 0.0000 44829.4473 -222406.5211 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
ENERGY: 274 20074.7417 19121.4863 5701.6806 183.0070 -333931.6258 21965.2977 0.0000 0.0000 44478.5175 -222406.8950 161.8006 -266885.4125 -222066.8027 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4318 19374.0681 5703.3424 182.5376 -333318.5604 21960.8300 0.0000 0.0000 43741.9683 -222350.3823 159.1213 -266092.3505 -222065.7690 159.1213 -1269.7931 -2374.8868 921491.4634 -1269.7931 -2374.8868
ENERGY: 276 19401.8503 19594.7508 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5271 -222412.2138 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1301 -2417.6040 921491.4634 -1580.1301 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8111 -222481.8215 162.3619 -267114.6327 -222061.0986 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1001 22041.3359 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9599 -222063.4129 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5797 22096.4199 0.0000 0.0000 43975.0879 -222376.7277 159.9693 -266351.8156 -222065.2021 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.073, 0.469536/step Wall: 133.073, 0.469536/step, 0.0286939 hours remaining, 3221.222656 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: 280 22859.3229 19458.4367 5670.0026 185.3899 -336752.6628 22145.1354 0.0000 0.0000 44066.7337 -222367.6417 160.3027 -266434.3753 -222073.4245 160.3027 -4286.3891 -2748.0545 921491.4634 -4286.3891 -2748.0545
ENERGY: 281 22172.5958 19445.1183 5667.0588 186.2206 -337154.6798 22172.1192 0.0000 0.0000 45063.2421 -222448.3251 163.9277 -267511.5671 -222064.8516 163.9277 -3881.2949 -2782.5901 921491.4634 -3881.2949 -2782.5901
ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5030 22176.7655 0.0000 0.0000 45823.3368 -222526.2575 166.6927 -268349.5943 -222063.3314 166.6927 -2992.3270 -2779.3667 921491.4634 -2992.3270 -2779.3667
ENERGY: 283 20432.1060 19966.6614 5678.8137 187.1634 -336251.9197 22171.0649 0.0000 0.0000 45328.8518 -222487.2585 164.8939 -267816.1103 -222060.8457 164.8939 -2008.7735 -2748.2305 921491.4634 -2008.7735 -2748.2305
ENERGY: 284 20506.3999 20401.8821 5692.0830 187.1346 -335412.6296 22166.2910 0.0000 0.0000 44071.4478 -222387.3912 160.3198 -266458.8390 -222061.5537 160.3198 -1267.2791 -2712.3901 921491.4634 -1267.2791 -2712.3901
ENERGY: 285 20203.3288 20789.9628 5707.3564 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2629 -222354.5542 157.9437 -265772.8171 -222053.5964 157.9437 -1010.8438 -2700.0819 921491.4634 -1010.8438 -2700.0819
ENERGY: 286 19396.6310 20966.5621 5721.5031 185.8230 -334658.1145 22176.6864 0.0000 0.0000 43785.6880 -222425.2210 159.2803 -266210.9089 -222054.0580 159.2803 -1306.7502 -2717.2846 921491.4634 -1306.7502 -2717.2846
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1476 22200.2911 0.0000 0.0000 44282.9436 -222485.6057 161.0892 -266768.5493 -222055.7251 161.0892 -2148.9613 -2753.3343 921491.4634 -2148.9613 -2753.3343
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3146 22237.9038 0.0000 0.0000 44116.9903 -222455.2375 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
ENERGY: 289 21886.4833 19928.6979 5736.1905 180.7560 -336126.9120 22279.0691 0.0000 0.0000 43733.4511 -222382.2641 159.0903 -266115.7152 -222062.2724 159.0903 -4368.9813 -2809.8749 921491.4634 -4368.9813 -2809.8749
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9843 19325.5266 5730.3279 178.6973 -336571.4572 22308.2175 0.0000 0.0000 44027.4232 -222385.2802 160.1597 -266412.7035 -222063.4683 160.1597 -4815.3285 -2796.0389 921491.4634 -4815.3285 -2796.0389
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LDB: ============= START OF LOAD BALANCING ============== 145.277
LDB: Largest compute 200 load 0.519684 is 1.1% of average load 45.586984
LDB: Average compute 0.063871 is 0.1% of average load 45.586984
LDB: TIME 145.279 LOAD: AVG 45.587 MAX 47.0205 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3221.57 MB
LDB: TIME 145.28 LOAD: AVG 45.587 MAX 47.0205 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3221.57 MB
LDB: TIME 145.297 LOAD: AVG 45.587 MAX 46.0885 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.57 MB
LDB: ============== END OF LOAD BALANCING =============== 145.298
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 145.299
Info: Initial time: 4 CPUs 0.469878 s/step 5.43841 days/ns 3221.57 MB memory
TIMING: 300 CPU: 142.47, 0.469829/step Wall: 142.47, 0.469829/step, 0.0261016 hours remaining, 3221.574219 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: 302 21723.0646 20395.7908 5720.2599 184.8676 -337483.0153 22416.9294 0.0000 0.0000 44599.2669 -222442.8361 162.2399 -267042.1030 -222057.3400 162.2399 -3958.8648 -2554.2735 921491.4634 -3958.8648 -2554.2735
ENERGY: 303 21512.5328 20430.0801 5712.5286 185.2198 -336784.9551 22409.2051 0.0000 0.0000 44154.6908 -222380.6980 160.6226 -266535.3888 -222054.2089 160.6226 -2717.2718 -2487.9821 921491.4634 -2717.2718 -2487.9821
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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: 151.654, 0.4592/step Wall: 151.654, 0.4592/step, 0.02296 hours remaining, 3221.574219 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: 322 22179.0068 20957.0455 5696.1855 180.4970 -337965.9627 22565.0704 0.0000 0.0000 43989.5238 -222398.6336 160.0218 -266388.1575 -222063.6576 160.0218 -4596.8828 -2640.5012 921491.4634 -4596.8828 -2640.5012
ENERGY: 323 21976.7005 21085.8079 5695.4506 181.8003 -337194.0743 22550.8104 0.0000 0.0000 43361.4901 -222342.0145 157.7372 -265703.5046 -222061.4464 157.7372 -3808.3604 -2616.6943 921491.4634 -3808.3604 -2616.6943
ENERGY: 324 20558.5069 20952.0213 5690.8581 183.3007 -336170.3973 22520.5742 0.0000 0.0000 43857.2498 -222407.8862 159.5406 -266265.1360 -222068.7481 159.5406 -2506.6899 -2573.6930 921491.4634 -2506.6899 -2573.6930
ENERGY: 325 19096.1753 20584.7378 5683.7432 184.8441 -335297.0511 22494.0545 0.0000 0.0000 44763.3952 -222490.1009 162.8369 -267253.4962 -222060.9511 162.8369 -1264.0245 -2529.6545 921491.4634 -1264.0245 -2529.6545
ENERGY: 326 18959.6361 20052.8005 5675.9627 186.2078 -334820.0103 22490.4170 0.0000 0.0000 44971.8222 -222483.1641 163.5951 -267454.9863 -222059.6108 163.5951 -572.2142 -2503.0557 921491.4634 -572.2142 -2503.0557
ENERGY: 327 20020.7820 19506.2795 5669.7116 187.2139 -334851.2529 22513.0146 0.0000 0.0000 44550.7424 -222403.5088 162.0634 -266954.2513 -222059.8759 162.0634 -657.4991 -2506.5013 921491.4634 -657.4991 -2506.5013
ENERGY: 328 20934.1978 19092.0093 5666.7484 187.7399 -335303.4712 22549.7454 0.0000 0.0000 44493.2355 -222379.7949 161.8542 -266873.0304 -222061.7260 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
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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: 337 20420.1633 19649.7061 5693.3319 179.7347 -334824.3558 22536.4224 0.0000 0.0000 43995.5998 -222349.3976 160.0439 -266344.9974 -222040.1025 160.0439 -1064.7182 -2460.5859 921491.4634 -1064.7182 -2460.5859
ENERGY: 338 21007.5745 19722.4641 5687.5590 179.5437 -335808.8619 22564.1946 0.0000 0.0000 44285.9172 -222361.6088 161.1000 -266647.5260 -222041.5958 161.1000 -1500.9497 -2462.8575 921491.4634 -1500.9497 -2462.8575
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TIMING: 340 CPU: 160.835, 0.459051/step Wall: 160.835, 0.459051/step, 0.0204023 hours remaining, 3221.574219 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: 170.009, 0.45873/step Wall: 170.009, 0.45873/step, 0.0178395 hours remaining, 3221.574219 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 20495.6592 5711.4639 183.2952 -336584.2278 22821.5836 0.0000 0.0000 44474.7539 -222423.6620 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.177, 0.458379/step Wall: 179.177, 0.458379/step, 0.0152793 hours remaining, 3221.574219 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: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0488 22884.2532 0.0000 0.0000 45539.1834 -222517.5659 165.6590 -268056.7492 -222062.0926 165.6590 -569.2381 -2166.9358 921491.4634 -569.2381 -2166.9358
ENERGY: 385 19327.8182 19356.8911 5707.7751 177.4354 -335210.6403 22871.6141 0.0000 0.0000 45299.7172 -222469.3890 164.7879 -267769.1063 -222051.0994 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2275 19220.9464 5707.6637 175.9385 -334865.1819 22880.7955 0.0000 0.0000 44519.8588 -222378.7517 161.9510 -266898.6104 -222051.0438 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2861 19202.4844 5710.9354 174.6759 -335109.8727 22905.2741 0.0000 0.0000 44377.1818 -222372.0350 161.4320 -266749.2168 -222053.0051 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1517 22938.2897 0.0000 0.0000 44972.7763 -222459.6730 163.5986 -267432.4493 -222067.4816 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -2076.2821
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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: 397 19906.7785 20200.7711 5721.4919 176.2273 -336102.8174 22990.0371 0.0000 0.0000 44712.8677 -222394.6440 162.6531 -267107.5116 -222042.6598 162.6531 -376.0864 -2327.2103 921491.4634 -376.0864 -2327.2103
ENERGY: 398 19692.8116 20133.3592 5716.9813 176.0456 -336812.3377 23014.0582 0.0000 0.0000 45592.7324 -222486.3494 165.8538 -268079.0818 -222045.7220 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 191.177
LDB: Largest compute 230 load 0.520817 is 1.1% of average load 45.552194
LDB: Average compute 0.063813 is 0.1% of average load 45.552194
LDB: TIME 191.179 LOAD: AVG 45.5522 MAX 45.878 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3221.57 MB
LDB: TIME 191.18 LOAD: AVG 45.5522 MAX 45.878 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.57 MB
LDB: TIME 191.18 LOAD: AVG 45.5522 MAX 45.878 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3221.57 MB
LDB: ============== END OF LOAD BALANCING =============== 191.18
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 191.181
Info: Benchmark time: 4 CPUs 0.458722 s/step 5.30928 days/ns 3221.57 MB memory
TIMING: 400 CPU: 188.346, 0.458453/step Wall: 188.346, 0.458453/step, 0.0127348 hours remaining, 3221.574219 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: 403 20784.9694 19778.4827 5715.7218 174.2695 -337239.9783 23077.8400 0.0000 0.0000 45225.5966 -222483.0984 164.5183 -267708.6950 -222046.6853 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6844 23057.9921 0.0000 0.0000 45733.6059 -222498.8703 166.3663 -268232.4762 -222051.6704 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
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 195.6953 -336157.5860 23063.1715 0.0000 0.0000 44200.2848 -222384.0420 160.7885 -266584.3268 -222052.9643 160.7885 -282.7614 -2224.6896 921491.4634 -282.7614 -2224.6896
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ENERGY: 418 20154.6648 20457.0909 5705.5847 188.6536 -336970.7864 23098.6727 0.0000 0.0000 44915.1419 -222450.9778 163.3889 -267366.1197 -222046.7093 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
ENERGY: 419 20790.7630 20185.5524 5700.4810 184.6055 -337717.8752 23139.8024 0.0000 0.0000 45250.3097 -222466.3613 164.6082 -267716.6710 -222049.5950 164.6082 -1783.9420 -2336.6463 921491.4634 -1783.9420 -2336.6463
TIMING: 420 CPU: 197.487, 0.457065/step Wall: 197.487, 0.457065/step, 0.010157 hours remaining, 3221.574219 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: 425 19942.3361 19314.5608 5697.3263 169.6876 -335607.5200 23103.7921 0.0000 0.0000 44956.0476 -222423.7695 163.5377 -267379.8171 -222050.7961 163.5377 -1980.9651 -2297.0087 921491.4634 -1980.9651 -2297.0087
ENERGY: 426 19603.3347 19432.3070 5702.4946 169.0990 -335270.6870 23080.2893 0.0000 0.0000 44862.7380 -222420.4244 163.1983 -267283.1624 -222049.1087 163.1983 -1125.8049 -2237.7212 921491.4634 -1125.8049 -2237.7212
ENERGY: 427 19598.5316 19595.2899 5707.1504 168.7509 -335498.4312 23074.5007 0.0000 0.0000 44915.2770 -222438.9308 163.3894 -267354.2078 -222048.7336 163.3894 -741.9007 -2207.6352 921491.4634 -741.9007 -2207.6352
ENERGY: 428 20140.4227 19760.4171 5710.4628 168.5259 -336199.9848 23087.7677 0.0000 0.0000 44884.2590 -222448.1297 163.2766 -267332.3887 -222058.0549 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -2206.9583
ENERGY: 429 21147.3675 19912.0619 5712.1357 168.3557 -337181.5902 23116.4520 0.0000 0.0000 44706.5240 -222418.6934 162.6300 -267125.2174 -222045.4881 162.6300 -1630.8083 -2233.4560 921491.4634 -1630.8083 -2233.4560
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 20024.3737 5712.1700 168.1897 -338096.9200 23149.4492 0.0000 0.0000 44626.3096 -222402.4406 162.3382 -267028.7502 -222047.3915 162.3382 -2472.2454 -2268.0463 921491.4634 -2472.2454 -2268.0463
ENERGY: 431 22204.1021 20111.4152 5711.2600 168.0704 -338644.7640 23172.3803 0.0000 0.0000 44858.4628 -222419.0732 163.1828 -267277.5360 -222048.7169 163.1828 -3116.2803 -2293.5590 921491.4634 -3116.2803 -2293.5590
ENERGY: 432 21768.3704 20188.6724 5710.3546 168.1086 -338651.2095 23176.0844 0.0000 0.0000 45177.9908 -222461.6284 164.3451 -267639.6191 -222065.9057 164.3451 -3350.2739 -2296.1495 921491.4634 -3350.2739 -2296.1495
ENERGY: 433 21200.9073 20275.9663 5710.3763 168.4633 -338164.0631 23162.2908 0.0000 0.0000 45192.9282 -222453.1310 164.3995 -267646.0592 -222052.5981 164.3995 -3187.3731 -2272.1274 921491.4634 -3187.3731 -2272.1274
ENERGY: 434 20730.3414 20338.1499 5711.6061 169.3247 -337394.2698 23140.7732 0.0000 0.0000 44883.0996 -222420.9750 163.2724 -267304.0746 -222051.1461 163.2724 -2694.3107 -2227.7883 921491.4634 -2694.3107 -2227.7883
ENERGY: 435 20235.2202 20362.4014 5714.0003 170.8455 -336680.6549 23123.4093 0.0000 0.0000 44675.9839 -222398.7943 162.5190 -267074.7782 -222049.5887 162.5190 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9243 20349.9980 5717.2345 173.0864 -336303.8806 23119.9073 0.0000 0.0000 44847.0985 -222425.6316 163.1414 -267272.7301 -222059.6958 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
ENERGY: 437 19434.5515 20329.5091 5720.9893 175.9827 -336411.9779 23136.3862 0.0000 0.0000 45159.2691 -222455.2900 164.2770 -267614.5591 -222050.7501 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1531 20278.6094 5724.6883 179.3848 -336899.4571 23173.5512 0.0000 0.0000 45148.1330 -222459.9372 164.2365 -267608.0702 -222051.5667 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
ENERGY: 439 21052.7406 20184.4294 5727.7929 183.0561 -337561.7715 23224.7475 0.0000 0.0000 44760.8218 -222428.1831 162.8276 -267189.0050 -222052.7964 162.8276 -1936.1990 -2169.8748 921491.4634 -1936.1990 -2169.8748
TIMING: 440 CPU: 206.622, 0.456714/step Wall: 206.622, 0.456714/step, 0.0076119 hours remaining, 3221.574219 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 20036.2370 5729.7527 186.7201 -338123.1804 23276.2478 0.0000 0.0000 44417.5467 -222405.1078 161.5788 -266822.6545 -222059.4771 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
ENERGY: 441 22355.5486 19860.0408 5730.3487 190.1145 -338361.1715 23313.2037 0.0000 0.0000 44502.6973 -222409.2177 161.8886 -266911.9151 -222050.0858 161.8886 -2716.1028 -2221.5315 921491.4634 -2716.1028 -2221.5315
ENERGY: 442 21853.6118 19664.5349 5729.4854 192.9411 -338090.1534 23327.1560 0.0000 0.0000 44880.6329 -222441.7912 163.2634 -267322.4241 -222049.7754 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3317 19487.0723 5727.6164 194.9329 -337369.3152 23320.0149 0.0000 0.0000 45118.1116 -222457.2353 164.1273 -267575.3469 -222048.5994 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3365 19357.2691 5725.4095 195.8735 -336464.1928 23301.5267 0.0000 0.0000 44987.7185 -222447.0590 163.6530 -267434.7776 -222057.9800 163.6530 -2090.2105 -2206.4404 921491.4634 -2090.2105 -2206.4404
ENERGY: 445 20125.5610 19307.2518 5723.6513 195.6942 -335759.3919 23283.8130 0.0000 0.0000 44708.7163 -222414.7044 162.6380 -267123.4207 -222046.5430 162.6380 -1846.9632 -2201.6930 921491.4634 -1846.9632 -2201.6930
ENERGY: 446 19947.6806 19324.9006 5722.5430 194.3235 -335494.5712 23276.0442 0.0000 0.0000 44620.2953 -222408.7841 162.3164 -267029.0794 -222046.1623 162.3164 -1800.7524 -2216.7298 921491.4634 -1800.7524 -2216.7298
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4402 23282.7449 0.0000 0.0000 44816.5096 -222425.8052 163.0301 -267242.3148 -222046.8345 163.0301 -1993.3117 -2253.0608 921491.4634 -1993.3117 -2253.0608
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1797 23303.8895 0.0000 0.0000 45065.6682 -222451.2183 163.9365 -267516.8864 -222059.3478 163.9365 -2372.1880 -2303.7901 921491.4634 -2372.1880 -2303.7901
ENERGY: 449 20877.4059 19832.6984 5723.5713 184.8596 -337500.9066 23334.5914 0.0000 0.0000 45101.1685 -222446.6116 164.0657 -267547.7801 -222047.7096 164.0657 -2827.1082 -2356.1409 921491.4634 -2827.1082 -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 21754.4852 20108.1297 5724.4776 181.0897 -338419.3243 23364.6235 0.0000 0.0000 44854.3101 -222432.2084 163.1677 -267286.5185 -222048.7858 163.1677 -3116.6757 -2394.3898 921491.4634 -3116.6757 -2394.3898
ENERGY: 451 22355.5901 20357.7253 5724.7144 177.6517 -338952.0901 23381.8000 0.0000 0.0000 44542.6989 -222411.9097 162.0341 -266954.6087 -222048.8243 162.0341 -3074.2534 -2405.7799 921491.4634 -3074.2534 -2405.7799
ENERGY: 452 22246.2014 20536.0133 5723.8953 174.8859 -338927.1534 23378.0937 0.0000 0.0000 44452.9197 -222415.1441 161.7075 -266868.0638 -222059.6372 161.7075 -2659.9608 -2384.7571 921491.4634 -2659.9608 -2384.7571
ENERGY: 453 21399.8725 20641.1310 5722.2879 173.1350 -338392.7931 23354.5901 0.0000 0.0000 44683.7034 -222418.0732 162.5470 -267101.7765 -222043.5373 162.5470 -2048.3342 -2342.4671 921491.4634 -2048.3342 -2342.4671
ENERGY: 454 20248.3380 20654.1373 5720.2218 172.3637 -337567.1412 23320.6896 0.0000 0.0000 45008.1465 -222443.2443 163.7273 -267451.3908 -222041.8393 163.7273 -1453.4582 -2293.1453 921491.4634 -1453.4582 -2293.1453
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6451 23290.4019 0.0000 0.0000 45086.5788 -222451.1605 164.0126 -267537.7392 -222040.8571 164.0126 -1151.8827 -2255.8574 921491.4634 -1151.8827 -2255.8574
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1071 23274.9627 0.0000 0.0000 44811.4725 -222438.4394 163.0118 -267249.9119 -222055.3485 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8161 23277.8271 0.0000 0.0000 44521.8705 -222403.2001 161.9583 -266925.0706 -222049.4131 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8433 20019.2722 5720.7061 176.6081 -336835.0956 23294.7170 0.0000 0.0000 44632.7890 -222405.1598 162.3618 -267037.9488 -222051.2821 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
ENERGY: 459 20903.4944 19784.9690 5724.0022 178.1984 -337468.1641 23318.6981 0.0000 0.0000 45113.9369 -222444.8651 164.1121 -267558.8020 -222053.1410 164.1121 -3350.5832 -2341.5797 921491.4634 -3350.5832 -2341.5797
TIMING: 460 CPU: 215.744, 0.456131/step Wall: 215.744, 0.456131/step, 0.00506812 hours remaining, 3221.574219 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 21262.6137 19597.9065 5728.0972 179.4910 -338014.3768 23341.8000 0.0000 0.0000 45423.8567 -222480.6117 165.2395 -267904.4684 -222064.6836 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8762 19507.1078 5732.5753 180.4333 -338251.6218 23355.3934 0.0000 0.0000 45154.6139 -222458.6220 164.2601 -267613.2358 -222058.0507 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2255 19487.8113 5736.4823 180.9531 -337988.7174 23351.1086 0.0000 0.0000 44559.9291 -222408.2075 162.0968 -266968.1366 -222056.7214 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1791 19513.9020 5738.9361 181.1160 -337284.1033 23326.9478 0.0000 0.0000 44313.4571 -222388.5653 161.2002 -266702.0224 -222054.6242 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2460 19559.9276 5739.2518 181.0096 -336389.3846 23291.1943 0.0000 0.0000 44654.0268 -222428.7286 162.4391 -267082.7553 -222058.5730 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7827 19631.8857 5737.2899 180.7155 -335701.1540 23259.7393 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7410 -222052.9389 164.0416 -512.3348 -2174.4009 921491.4634 -512.3348 -2174.4009
ENERGY: 466 19088.4511 19708.3582 5733.2107 180.2808 -335443.7732 23245.0606 0.0000 0.0000 45020.7910 -222467.6207 163.7733 -267488.4117 -222052.9786 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0956 23249.4532 0.0000 0.0000 44523.6667 -222415.5484 161.9649 -266939.2151 -222054.3496 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8481 19845.4941 5721.5090 179.2779 -336451.5667 23265.8129 0.0000 0.0000 44291.6587 -222385.9661 161.1209 -266677.6248 -222056.3589 161.1209 -2508.6713 -2314.1339 921491.4634 -2508.6713 -2314.1339
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3202 23284.3965 0.0000 0.0000 44720.3203 -222412.5671 162.6802 -267132.8874 -222046.0749 162.6802 -3596.7404 -2405.7971 921491.4634 -3596.7404 -2405.7971
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8932 5710.9491 178.5947 -338383.2507 23297.0677 0.0000 0.0000 45346.4574 -222466.1155 164.9579 -267812.5729 -222047.6087 164.9579 -4259.6994 -2477.6830 921491.4634 -4259.6994 -2477.6830
ENERGY: 471 21732.8677 20054.6833 5707.9626 178.5890 -338913.2451 23297.5090 0.0000 0.0000 45471.3365 -222470.2969 165.4122 -267941.6334 -222047.5358 165.4122 -4290.5682 -2504.3174 921491.4634 -4290.5682 -2504.3174
ENERGY: 472 22081.2361 20161.5549 5707.0091 178.9047 -338870.6767 23279.4497 0.0000 0.0000 45028.5293 -222433.9928 163.8014 -267462.5222 -222059.5057 163.8014 -3659.7359 -2479.9182 921491.4634 -3659.7359 -2479.9182
ENERGY: 473 21866.1363 20289.3424 5707.9843 179.6165 -338307.7191 23240.7370 0.0000 0.0000 44634.5169 -222389.3858 162.3681 -267023.9027 -222043.8539 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9705 20372.0983 5710.2160 180.7466 -337438.4552 23189.2355 0.0000 0.0000 44733.2303 -222409.9581 162.7272 -267143.1883 -222041.2619 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2081 20371.7670 5712.9876 182.2512 -336604.2313 23142.3824 0.0000 0.0000 45070.2135 -222450.4215 163.9530 -267520.6351 -222039.4529 163.9530 -344.6448 -2232.2124 921491.4634 -344.6448 -2232.2124
ENERGY: 476 19235.7862 20282.0270 5715.7683 184.0125 -336100.0903 23115.8473 0.0000 0.0000 45106.0631 -222460.5860 164.0835 -267566.6491 -222053.6137 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7250 20145.9809 5718.4976 185.9230 -336101.8790 23114.2946 0.0000 0.0000 44812.3206 -222420.1373 163.0149 -267232.4579 -222044.8410 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4038 23131.2467 0.0000 0.0000 44627.0329 -222402.1313 162.3409 -267029.1642 -222047.4105 162.3409 -1807.1602 -2198.7955 921491.4634 -1807.1602 -2198.7955
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5841 23156.6778 0.0000 0.0000 44802.1573 -222425.5081 162.9779 -267227.6654 -222050.5458 162.9779 -3089.8514 -2246.7916 921491.4634 -3089.8514 -2246.7916
TIMING: 480 CPU: 224.862, 0.455874/step Wall: 224.862, 0.455874/step, 0.00253263 hours remaining, 3221.574219 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 19623.1966 5725.3111 190.1900 -337854.6791 23181.5124 0.0000 0.0000 45051.6810 -222458.7551 163.8856 -267510.4361 -222064.6211 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4854 19510.0436 5727.0952 190.6351 -338199.2487 23196.7965 0.0000 0.0000 45041.3364 -222440.8564 163.8480 -267482.1928 -222052.5267 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3468 19466.6798 5728.4963 190.3598 -338044.5425 23192.7480 0.0000 0.0000 44865.8516 -222414.0602 163.2096 -267279.9118 -222051.4114 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1413 19511.5749 5729.5660 189.3227 -337426.2192 23165.8746 0.0000 0.0000 44861.8966 -222414.8431 163.1953 -267276.7397 -222048.7674 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8926 19631.1942 5730.2465 187.5455 -336590.8888 23126.1356 0.0000 0.0000 45003.6029 -222451.2715 163.7107 -267454.8745 -222059.8740 163.7107 -1565.2425 -2143.1849 921491.4634 -1565.2425 -2143.1849
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5869 23092.8475 0.0000 0.0000 44955.5723 -222449.3244 163.5360 -267404.8967 -222045.9604 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5427 19954.8176 5729.7197 182.4662 -335612.3570 23080.3811 0.0000 0.0000 44645.9116 -222416.5180 162.4096 -267062.4296 -222044.6759 162.4096 87.3180 -2070.0982 921491.4634 87.3180 -2070.0982
ENERGY: 487 19881.0925 20072.0212 5727.4347 179.4360 -335846.4483 23091.0548 0.0000 0.0000 44503.3493 -222392.0598 161.8910 -266895.4091 -222045.2405 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2098 20156.1360 5723.5441 176.4338 -336552.5452 23118.8619 0.0000 0.0000 44827.0557 -222425.3039 163.0685 -267252.3595 -222057.1936 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8872 20236.4608 5718.5748 173.8639 -337540.4654 23156.7313 0.0000 0.0000 45266.1003 -222461.8471 164.6656 -267727.9474 -222045.6083 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9021 5712.8912 171.8438 -338458.1359 23196.4880 0.0000 0.0000 45213.5628 -222459.6991 164.4745 -267673.2618 -222048.2205 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4639 20312.1360 5707.3795 170.5404 -338984.5791 23226.0939 0.0000 0.0000 44733.0088 -222404.9566 162.7264 -267137.9653 -222049.4636 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9546 20289.6810 5702.9944 170.0208 -338937.5814 23232.7207 0.0000 0.0000 44542.1949 -222387.0151 162.0323 -266929.2100 -222060.3860 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2186 20260.7374 5700.7779 170.3201 -338358.0631 23214.0538 0.0000 0.0000 45033.8228 -222420.1327 163.8207 -267453.9554 -222046.5901 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3365 20225.0260 5700.9805 171.2193 -337454.3832 23183.0796 0.0000 0.0000 45622.2473 -222483.4940 165.9612 -268105.7413 -222044.0868 165.9612 -2500.8993 -2482.1069 921491.4634 -2500.8993 -2482.1069
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9884 23159.4626 0.0000 0.0000 45484.1228 -222477.1926 165.4587 -267961.3153 -222041.5564 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4834 20130.6472 5708.0350 174.0933 -335998.7152 23154.2636 0.0000 0.0000 44699.5266 -222409.6660 162.6046 -267109.1926 -222049.0670 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6668 20059.9177 5713.4613 175.7242 -335952.5039 23166.3546 0.0000 0.0000 44261.0284 -222363.3510 161.0095 -266624.3793 -222042.7500 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0164 19957.1218 5718.5596 177.2604 -336366.4929 23189.3585 0.0000 0.0000 44728.2529 -222413.9233 162.7091 -267142.1762 -222044.5219 162.7091 -993.4680 -2331.6473 921491.4634 -993.4680 -2331.6473
ENERGY: 499 20158.0676 19847.7312 5722.4089 178.6361 -337058.4819 23219.2404 0.0000 0.0000 45439.2637 -222493.1339 165.2956 -267932.3976 -222047.2062 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.455593 s/step 5.27307 days/ns 3221.57 MB memory
TIMING: 500 CPU: 233.906, 0.45219/step Wall: 233.906, 0.45219/step, 0 hours remaining, 3221.574219 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 20974.8934 19756.6588 5724.4523 179.8271 -337741.4187 23251.1009 0.0000 0.0000 45359.0770 -222495.4091 165.0039 -267854.4861 -222061.0909 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -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, 3226.336 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3226.336 MB of memory in use
====================================================
WallClock: 237.623428 CPUTime: 237.623428 Memory: 3226.335938 MB
[Partition 0][Node 0] End of program
Application 287104 resources: utime ~938s, stime ~14s, Rss ~125960, inblocks ~66494, outblocks ~71264
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson8238918441138691638.sh
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/wallclock
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/cputime
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/memory
Finished: SUCCESS
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