Skipping 712 KB..
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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 ============== 54.2762
LDB: Largest compute 200 load 0.429923 is 1.2% of average load 36.785854
LDB: Average compute 0.051528 is 0.1% of average load 36.785854
LDB: Partitioning computes with target load 3.678585
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055309
LDB: ============== END OF LOAD BALANCING =============== 54.2782
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.279
Info: Initial time: 4 CPUs 0.474148 s/step 5.48783 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.3888, 0.473251/step Wall: 48.3888, 0.473251/step, 0.0525835 hours remaining, 3221.585938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.7229
LDB: ============== END OF LOAD BALANCING =============== 63.7229
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7234
TIMING: 120 CPU: 57.8306, 0.47209/step Wall: 57.8306, 0.47209/step, 0.0498317 hours remaining, 3221.785156 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 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.27, 0.471969/step Wall: 67.27, 0.471969/step, 0.0471969 hours remaining, 3222.007812 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: 76.6977, 0.471389/step Wall: 76.6977, 0.471389/step, 0.0445201 hours remaining, 3222.230469 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: 160 21093.2843 18859.3046 5717.0749 174.4916 -333735.9152 20833.5471 0.0000 0.0000 44515.8596 -222542.3532 161.9365 -267058.2128 -222175.6785 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5960 5704.9782 178.2042 -333710.7595 20865.7132 0.0000 0.0000 44220.7113 -222493.9565 160.8628 -266714.6678 -222160.9737 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4905 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8658 5696.1509 188.4544 -332368.8222 20884.6195 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7465 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4926 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
ENERGY: 169 20648.4665 20870.4069 5789.9166 204.9287 -334596.5070 20994.5722 0.0000 0.0000 43600.1910 -222488.0252 158.6055 -266088.2162 -222133.5316 158.6055 -2095.8776 -2988.7948 921491.4634 -2095.8776 -2988.7948
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 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5397 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.1151, 0.470868/step Wall: 86.1151, 0.470868/step, 0.041855 hours remaining, 3222.230469 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: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9079 21042.4478 0.0000 0.0000 44880.5528 -222572.3090 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2887 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1124 21076.9264 0.0000 0.0000 42449.0057 -222222.0800 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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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 21700.3669 19122.7581 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3186 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.422
LDB: Largest compute 200 load 0.424585 is 1.2% of average load 36.604334
LDB: Average compute 0.051275 is 0.1% of average load 36.604334
LDB: TIME 101.424 LOAD: AVG 36.6043 MAX 37.6985 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.426 LOAD: AVG 36.6043 MAX 37.4898 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.428
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.431
Info: Initial time: 4 CPUs 0.471353 s/step 5.45548 days/ns 3223.4 MB memory
TIMING: 200 CPU: 95.5338, 0.470933/step Wall: 95.5338, 0.470933/step, 0.0392444 hours remaining, 3223.402344 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: 200 21073.6838 18595.6350 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7131 21239.1340 0.0000 0.0000 43222.4694 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2005 -2661.1901 921491.4634 -4546.2005 -2661.1901
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8258 -2512.4436 921491.4634 -1046.8258 -2512.4436
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2551 21197.9185 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9267 -222099.8062 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
ENERGY: 206 20668.8901 20170.9985 5732.9811 187.6404 -332716.3434 21241.8390 0.0000 0.0000 42439.0585 -222274.9358 154.3816 -264713.9943 -222100.3399 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6915 -222226.4461 153.3072 -264370.1376 -222103.0934 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2378 21322.2409 0.0000 0.0000 44428.6272 -222472.1868 161.6191 -266900.8139 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0057 5710.3389 180.5135 -335910.2415 21349.5043 0.0000 0.0000 46273.6801 -222642.3818 168.3309 -268916.0619 -222106.7903 168.3309 -5197.7275 -2836.6307 921491.4634 -5197.7275 -2836.6307
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2568 5705.3139 178.4614 -336615.7770 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8929 21415.1476 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2978 -2885.1011 921491.4634 -5900.2978 -2885.1011
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6227 21412.5982 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2255 -222097.3837 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4701 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3324 21379.5595 0.0000 0.0000 45302.6745 -222527.8919 164.7987 -267830.5663 -222091.0449 164.7987 784.0014 -2554.0369 921491.4634 784.0014 -2554.0369
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1064 21436.4835 0.0000 0.0000 42442.1787 -222248.3321 154.3930 -264690.5108 -222073.6159 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3866 19581.4821 5762.2416 182.5517 -333010.6760 21497.2705 0.0000 0.0000 41983.6750 -222225.0685 152.7251 -264208.7436 -222064.4467 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1149 21546.6560 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2199 -222068.8158 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
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TIMING: 220 CPU: 104.94, 0.470289/step Wall: 104.94, 0.470289/step, 0.0365781 hours remaining, 3223.402344 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: 238 19419.4413 19404.0883 5740.6977 175.0128 -333964.3150 21778.9043 0.0000 0.0000 44901.2436 -222544.9270 163.3384 -267446.1706 -222065.9778 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
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TIMING: 240 CPU: 114.341, 0.470066/step Wall: 114.341, 0.470066/step, 0.0339492 hours remaining, 3223.402344 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 22861.0421 20119.9134 5760.6910 171.4213 -335766.3623 21854.4252 0.0000 0.0000 42641.4774 -222357.3920 155.1180 -264998.8694 -222074.0953 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
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ENERGY: 242 22110.7716 20111.8207 5758.5348 169.0441 -335904.8193 21831.0567 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6443 5749.3614 168.8705 -335233.7064 21770.4748 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3932 5737.4544 169.6534 -334482.6005 21720.5676 0.0000 0.0000 45629.1661 -222554.1193 165.9864 -268183.2855 -222078.7770 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7597 5725.7785 171.4559 -334087.5942 21701.2470 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1202 21705.0850 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1840 21719.8454 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8848 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1353 21746.4310 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6227 -222090.3127 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
ENERGY: 250 23155.2057 20422.5258 5726.1009 188.5682 -336907.4410 21832.9289 0.0000 0.0000 43252.1657 -222329.9458 157.3395 -265582.1115 -222084.2879 157.3395 -3365.2095 -2722.3880 921491.4634 -3365.2095 -2722.3880
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ENERGY: 252 21994.9041 20013.1601 5733.2541 193.8023 -336093.2678 21826.9295 0.0000 0.0000 43905.3719 -222425.8458 159.7157 -266331.2177 -222091.3307 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1124 5729.5496 195.2411 -334977.1809 21784.0536 0.0000 0.0000 45520.0191 -222581.3414 165.5893 -268101.3605 -222082.7207 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2297 5720.5008 195.9622 -333839.8800 21752.6524 0.0000 0.0000 45220.9195 -222528.5274 164.5013 -267749.4468 -222080.4688 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9235 21746.1515 0.0000 0.0000 43667.4212 -222349.0412 158.8501 -266016.4624 -222078.3978 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5972 21757.6847 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 18878.1873 5681.1759 194.7976 -333481.0038 21780.2419 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1543 21817.5077 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0339 -222062.0608 166.5942 -2331.2328 -2737.1919 921491.4634 -2331.2328 -2737.1919
ENERGY: 259 20717.7708 18984.1028 5671.3007 192.3773 -335369.5275 21871.0066 0.0000 0.0000 45431.1554 -222501.8138 165.2661 -267932.9693 -222063.7306 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.732, 0.469561/step Wall: 123.732, 0.469561/step, 0.0313041 hours remaining, 3223.832031 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 22744.9542 19188.2461 5675.1875 191.0393 -336169.7727 21924.7893 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5562 -222069.6814 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2723 19814.6775 5694.0656 188.7122 -336291.7859 21947.6074 0.0000 0.0000 44601.6346 -222438.8162 162.2485 -267040.4508 -222052.4325 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9713 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4304 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2680 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7518 5700.1930 187.9286 -335513.7451 21959.1257 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7812 19927.1704 5694.0390 187.7640 -336221.0663 21997.2160 0.0000 0.0000 44586.5098 -222431.5859 162.1935 -267018.0957 -222066.1974 162.1935 -3401.4128 -2647.2950 921491.4634 -3401.4128 -2647.2950
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9169 5690.3173 187.1618 -336650.6777 22028.8070 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5822 19078.8067 5690.0209 186.1610 -336571.7894 22035.2500 0.0000 0.0000 44829.4473 -222406.5213 163.0772 -267235.9686 -222066.8387 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4614 22015.0579 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5295 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6856 -222069.0457 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6330 -222061.0988 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.119, 0.469336/step Wall: 133.119, 0.469336/step, 0.0286816 hours remaining, 3223.832031 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 22145.1353 0.0000 0.0000 44066.7339 -222367.6419 160.3027 -266434.3758 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7898 19615.5377 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3371 -222526.2578 166.6927 -268349.5950 -222063.3316 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1061 19966.6613 5678.8137 187.1634 -336251.9201 22171.0647 0.0000 0.0000 45328.8521 -222487.2587 164.8939 -267816.1109 -222060.8460 164.8939 -2008.7737 -2748.2307 921491.4634 -2008.7737 -2748.2307
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ENERGY: 285 20203.3288 20789.9629 5707.3565 186.7145 -334827.1966 22167.0165 0.0000 0.0000 43418.2631 -222354.5543 157.9437 -265772.8174 -222053.5965 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6310 20966.5624 5721.5032 185.8229 -334658.1149 22176.6862 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7825 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2088 20475.2854 5736.9558 182.7335 -335468.3150 22237.9036 0.0000 0.0000 44116.9904 -222455.2375 160.4855 -266572.2279 -222066.9053 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.413
LDB: Largest compute 200 load 0.520328 is 1.1% of average load 45.740631
LDB: Average compute 0.064056 is 0.1% of average load 45.740631
LDB: TIME 148.415 LOAD: AVG 45.7406 MAX 46.9725 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 148.415 LOAD: AVG 45.7406 MAX 46.9725 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 148.431 LOAD: AVG 45.7406 MAX 46.2604 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 148.432
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.434
Info: Initial time: 4 CPUs 0.469498 s/step 5.43401 days/ns 3224.25 MB memory
TIMING: 300 CPU: 142.505, 0.469289/step Wall: 142.505, 0.469289/step, 0.0260716 hours remaining, 3224.250000 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: 151.727, 0.461115/step Wall: 151.727, 0.461115/step, 0.0230557 hours remaining, 3224.250000 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: 160.941, 0.46072/step Wall: 160.941, 0.46072/step, 0.0204764 hours remaining, 3224.250000 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: 170.146, 0.460231/step Wall: 170.146, 0.460231/step, 0.0178979 hours remaining, 3224.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 380 CPU: 179.345, 0.459975/step Wall: 179.345, 0.459974/step, 0.0153325 hours remaining, 3224.250000 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 19981.2273 19220.9464 5707.6638 175.9385 -334865.1813 22880.7957 0.0000 0.0000 44519.8581 -222378.7516 161.9510 -266898.6097 -222051.0438 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8722 22905.2743 0.0000 0.0000 44377.1812 -222372.0350 161.4320 -266749.2162 -222053.0050 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.475
LDB: Largest compute 230 load 0.526376 is 1.2% of average load 45.623944
LDB: Average compute 0.063897 is 0.1% of average load 45.623944
LDB: TIME 194.477 LOAD: AVG 45.6239 MAX 46.0417 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 194.478 LOAD: AVG 45.6239 MAX 46.0417 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 194.478 LOAD: AVG 45.6239 MAX 46.0417 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 194.478
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.479
Info: Benchmark time: 4 CPUs 0.46036 s/step 5.32824 days/ns 3224.25 MB memory
TIMING: 400 CPU: 188.544, 0.459954/step Wall: 188.544, 0.459954/step, 0.0127765 hours remaining, 3224.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 416 19942.3168 20661.9898 5710.0857 195.6954 -336157.5857 23063.1711 0.0000 0.0000 44200.2847 -222384.0422 160.7885 -266584.3269 -222052.9645 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
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ENERGY: 418 20154.6646 20457.0910 5705.5847 188.6537 -336970.7864 23098.6723 0.0000 0.0000 44915.1421 -222450.9779 163.3889 -267366.1201 -222046.7094 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
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TIMING: 420 CPU: 197.722, 0.458855/step Wall: 197.722, 0.458855/step, 0.0101968 hours remaining, 3224.250000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 426 19603.3346 19432.3072 5702.4947 169.0990 -335270.6879 23080.2891 0.0000 0.0000 44862.7383 -222420.4249 163.1983 -267283.1633 -222049.1093 163.1983 -1125.8051 -2237.7216 921491.4634 -1125.8051 -2237.7216
ENERGY: 427 19598.5314 19595.2901 5707.1504 168.7509 -335498.4322 23074.5006 0.0000 0.0000 44915.2775 -222438.9313 163.3894 -267354.2088 -222048.7341 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4226 19760.4172 5710.4628 168.5259 -336199.9854 23087.7676 0.0000 0.0000 44884.2594 -222448.1297 163.2766 -267332.3891 -222058.0550 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3739 5712.1700 168.1897 -338096.9206 23149.4493 0.0000 0.0000 44626.3098 -222402.4407 162.3382 -267028.7505 -222047.3915 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
ENERGY: 431 22204.1021 20111.4154 5711.2600 168.0704 -338644.7646 23172.3804 0.0000 0.0000 44858.4629 -222419.0733 163.1828 -267277.5362 -222048.7170 163.1828 -3116.2806 -2293.5591 921491.4634 -3116.2806 -2293.5591
ENERGY: 432 21768.3703 20188.6726 5710.3547 168.1086 -338651.2102 23176.0846 0.0000 0.0000 45177.9909 -222461.6286 164.3451 -267639.6195 -222065.9059 164.3451 -3350.2742 -2296.1498 921491.4634 -3350.2742 -2296.1498
ENERGY: 433 21200.9072 20275.9666 5710.3763 168.4633 -338164.0638 23162.2911 0.0000 0.0000 45192.9282 -222453.1311 164.3995 -267646.0593 -222052.5982 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3413 20338.1501 5711.6061 169.3247 -337394.2704 23140.7735 0.0000 0.0000 44883.0995 -222420.9752 163.2724 -267304.0746 -222051.1463 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6554 23123.4098 0.0000 0.0000 44675.9836 -222398.7944 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9242 20349.9982 5717.2345 173.0864 -336303.8810 23119.9078 0.0000 0.0000 44847.0981 -222425.6317 163.1414 -267272.7299 -222059.6960 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5092 5720.9893 175.9827 -336411.9783 23136.3868 0.0000 0.0000 45159.2686 -222455.2902 164.2770 -267614.5587 -222050.7503 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1531 20278.6095 5724.6884 179.3848 -336899.4574 23173.5520 0.0000 0.0000 45148.1323 -222459.9374 164.2365 -267608.0697 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.891, 0.458452/step Wall: 206.891, 0.458452/step, 0.00764087 hours remaining, 3224.250000 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 20036.2371 5729.7527 186.7202 -338123.1805 23276.2487 0.0000 0.0000 44417.5457 -222405.1079 161.5788 -266822.6536 -222059.4773 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5485 19860.0409 5730.3488 190.1146 -338361.1714 23313.2046 0.0000 0.0000 44502.6962 -222409.2179 161.8886 -266911.9141 -222050.0859 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6117 19664.5350 5729.4854 192.9412 -338090.1531 23327.1569 0.0000 0.0000 44880.6317 -222441.7913 163.2634 -267322.4230 -222049.7755 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3315 19487.0724 5727.6164 194.9329 -337369.3148 23320.0158 0.0000 0.0000 45118.1102 -222457.2354 164.1273 -267575.3456 -222048.5995 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1923 23301.5276 0.0000 0.0000 44987.7171 -222447.0591 163.6530 -267434.7762 -222057.9800 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2519 5723.6513 195.6942 -335759.3914 23283.8139 0.0000 0.0000 44708.7148 -222414.7044 162.6380 -267123.4193 -222046.5431 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6804 19324.9007 5722.5430 194.3235 -335494.5708 23276.0451 0.0000 0.0000 44620.2940 -222408.7842 162.3164 -267029.0781 -222046.1623 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8642 -335769.4400 23282.7458 0.0000 0.0000 44816.5083 -222425.8053 163.0301 -267242.3135 -222046.8346 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5921 19583.6801 5722.5765 188.5554 -336503.1797 23303.8904 0.0000 0.0000 45065.6669 -222451.2184 163.9365 -267516.8853 -222059.3479 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4060 19832.6987 5723.5713 184.8596 -337500.9068 23334.5923 0.0000 0.0000 45101.1673 -222446.6118 164.0657 -267547.7790 -222047.7098 164.0657 -2827.1080 -2356.1406 921491.4634 -2827.1080 -2356.1406
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1300 5724.4776 181.0898 -338419.3247 23364.6243 0.0000 0.0000 44854.3091 -222432.2085 163.1676 -267286.5176 -222048.7859 163.1676 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5901 20357.7256 5724.7144 177.6517 -338952.0906 23381.8008 0.0000 0.0000 44542.6982 -222411.9099 162.0341 -266954.6081 -222048.8244 162.0341 -3074.2532 -2405.7796 921491.4634 -3074.2532 -2405.7796
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1539 23378.0944 0.0000 0.0000 44452.9193 -222415.1441 161.7075 -266868.0634 -222059.6372 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8726 20641.1312 5722.2878 173.1350 -338392.7937 23354.5908 0.0000 0.0000 44683.7031 -222418.0731 162.5470 -267101.7762 -222043.5373 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1419 23320.6902 0.0000 0.0000 45008.1464 -222443.2443 163.7273 -267451.3906 -222041.8392 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6458 23290.4025 0.0000 0.0000 45086.5789 -222451.1604 164.0126 -267537.7394 -222040.8571 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1082 23274.9633 0.0000 0.0000 44811.4729 -222438.4396 163.0118 -267249.9125 -222055.3486 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8173 23277.8276 0.0000 0.0000 44521.8710 -222403.2003 161.9583 -266925.0713 -222049.4133 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0969 23294.7175 0.0000 0.0000 44632.7895 -222405.1600 162.3618 -267037.9494 -222051.2823 162.3618 -2684.6988 -2301.0427 921491.4634 -2684.6988 -2301.0427
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TIMING: 460 CPU: 216.058, 0.458349/step Wall: 216.058, 0.458349/step, 0.00509277 hours remaining, 3224.250000 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 21262.6141 19597.9065 5728.0971 179.4910 -338014.3779 23341.8004 0.0000 0.0000 45423.8571 -222480.6117 165.2395 -267904.4688 -222064.6836 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2256 19487.8112 5736.4822 180.9531 -337988.7180 23351.1088 0.0000 0.0000 44559.9296 -222408.2074 162.0968 -266968.1370 -222056.7214 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1792 19513.9019 5738.9361 181.1160 -337284.1037 23326.9479 0.0000 0.0000 44313.4573 -222388.5652 161.2002 -266702.0226 -222054.6242 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2461 19559.9275 5739.2518 181.0096 -336389.3848 23291.1943 0.0000 0.0000 44654.0268 -222428.7286 162.4391 -267082.7554 -222058.5730 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7827 19631.8856 5737.2899 180.7155 -335701.1540 23259.7392 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7410 -222052.9390 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4510 19708.3582 5733.2107 180.2808 -335443.7729 23245.0605 0.0000 0.0000 45020.7910 -222467.6208 163.7733 -267488.4118 -222052.9787 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8069 19783.1743 5727.6704 179.7757 -335721.0953 23249.4530 0.0000 0.0000 44523.6666 -222415.5484 161.9649 -266939.2150 -222054.3496 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8482 19845.4943 5721.5089 179.2779 -336451.5666 23265.8126 0.0000 0.0000 44291.6584 -222385.9663 161.1209 -266677.6247 -222056.3591 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3016 19910.2023 5715.6824 178.8504 -337458.3200 23284.3962 0.0000 0.0000 44720.3199 -222412.5673 162.6802 -267132.8872 -222046.0750 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8936 5710.9491 178.5947 -338383.2505 23297.0672 0.0000 0.0000 45346.4571 -222466.1157 164.9579 -267812.5728 -222047.6089 164.9579 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8677 20054.6837 5707.9626 178.5890 -338913.2449 23297.5084 0.0000 0.0000 45471.3364 -222470.2971 165.4122 -267941.6335 -222047.5360 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2360 20161.5553 5707.0091 178.9047 -338870.6764 23279.4490 0.0000 0.0000 45028.5294 -222433.9929 163.8014 -267462.5223 -222059.5058 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1362 20289.3427 5707.9843 179.6165 -338307.7188 23240.7362 0.0000 0.0000 44634.5171 -222389.3859 162.3681 -267023.9030 -222043.8539 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9704 20372.0985 5710.2160 180.7466 -337438.4550 23189.2346 0.0000 0.0000 44733.2306 -222409.9581 162.7272 -267143.1887 -222041.2619 162.7272 -1295.5525 -2316.2729 921491.4634 -1295.5525 -2316.2729
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2312 23142.3816 0.0000 0.0000 45070.2141 -222450.4216 163.9531 -267520.6357 -222039.4530 163.9531 -344.6449 -2232.2127 921491.4634 -344.6449 -2232.2127
ENERGY: 476 19235.7860 20282.0272 5715.7683 184.0125 -336100.0905 23115.8464 0.0000 0.0000 45106.0638 -222460.5862 164.0835 -267566.6500 -222053.6139 164.0835 -92.4050 -2183.0654 921491.4634 -92.4050 -2183.0654
ENERGY: 477 19704.7249 20145.9811 5718.4976 185.9230 -336101.8793 23114.2937 0.0000 0.0000 44812.3214 -222420.1376 163.0149 -267232.4589 -222044.8412 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4041 23131.2458 0.0000 0.0000 44627.0337 -222402.1316 162.3409 -267029.1653 -222047.4108 162.3409 -1807.1607 -2198.7958 921491.4634 -1807.1607 -2198.7958
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5844 23156.6769 0.0000 0.0000 44802.1582 -222425.5084 162.9779 -267227.6665 -222050.5461 162.9779 -3089.8519 -2246.7920 921491.4634 -3089.8519 -2246.7920
TIMING: 480 CPU: 225.219, 0.458093/step Wall: 225.219, 0.458093/step, 0.00254496 hours remaining, 3224.250000 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 190.1901 -337854.6793 23181.5116 0.0000 0.0000 45051.6819 -222458.7553 163.8856 -267510.4372 -222064.6213 163.8856 -4077.7330 -2291.4895 921491.4634 -4077.7330 -2291.4895
ENERGY: 481 22092.4855 19510.0435 5727.0952 190.6351 -338199.2489 23196.7956 0.0000 0.0000 45041.3373 -222440.8566 163.8480 -267482.1939 -222052.5268 163.8480 -4466.2398 -2305.6736 921491.4634 -4466.2398 -2305.6736
ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5426 23192.7472 0.0000 0.0000 44865.8525 -222414.0603 163.2096 -267279.9128 -222051.4115 163.2096 -4059.3101 -2278.0618 921491.4634 -4059.3101 -2278.0618
ENERGY: 483 21553.1414 19511.5747 5729.5660 189.3227 -337426.2192 23165.8738 0.0000 0.0000 44861.8974 -222414.8432 163.1953 -267276.7407 -222048.7675 163.1953 -2964.1725 -2216.4119 921491.4634 -2964.1725 -2216.4119
ENERGY: 484 20460.8926 19631.1941 5730.2465 187.5455 -336590.8892 23126.1349 0.0000 0.0000 45003.6036 -222451.2720 163.7107 -267454.8756 -222059.8745 163.7107 -1565.2428 -2143.1853 921491.4634 -1565.2428 -2143.1853
ENERGY: 485 19688.7720 19800.2993 5730.5256 185.2458 -335902.5873 23092.8468 0.0000 0.0000 44955.5729 -222449.3249 163.5360 -267404.8978 -222045.9609 163.5360 -422.1572 -2086.8739 921491.4634 -422.1572 -2086.8739
ENERGY: 486 19602.5426 19954.8178 5729.7198 182.4662 -335612.3573 23080.3805 0.0000 0.0000 44645.9119 -222416.5185 162.4096 -267062.4304 -222044.6764 162.4096 87.3178 -2070.0986 921491.4634 87.3178 -2070.0986
ENERGY: 487 19881.0924 20072.0215 5727.4348 179.4360 -335846.4486 23091.0542 0.0000 0.0000 44503.3494 -222392.0603 161.8910 -266895.4097 -222045.2410 161.8910 -192.2349 -2106.8844 921491.4634 -192.2349 -2106.8844
ENERGY: 488 20125.2098 20156.1363 5723.5441 176.4338 -336552.5452 23118.8615 0.0000 0.0000 44827.0556 -222425.3040 163.0685 -267252.3596 -222057.1938 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8872 20236.4611 5718.5749 173.8639 -337540.4655 23156.7310 0.0000 0.0000 45266.1003 -222461.8472 164.6656 -267727.9475 -222045.6085 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 20292.9023 5712.8912 171.8438 -338458.1362 23196.4878 0.0000 0.0000 45213.5628 -222459.6993 164.4745 -267673.2621 -222048.2207 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4641 20312.1360 5707.3795 170.5404 -338984.5795 23226.0939 0.0000 0.0000 44733.0089 -222404.9568 162.7264 -267137.9657 -222049.4637 162.7264 -4629.6934 -2524.6214 921491.4634 -4629.6934 -2524.6214
ENERGY: 492 22612.9549 20289.6809 5702.9944 170.0208 -338937.5819 23232.7208 0.0000 0.0000 44542.1951 -222387.0150 162.0323 -266929.2101 -222060.3860 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2189 20260.7371 5700.7779 170.3201 -338358.0637 23214.0540 0.0000 0.0000 45033.8231 -222420.1326 163.8207 -267453.9557 -222046.5900 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3367 20225.0258 5700.9806 171.2193 -337454.3841 23183.0800 0.0000 0.0000 45622.2478 -222483.4939 165.9612 -268105.7417 -222044.0867 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2463 20186.8298 5703.5926 172.5416 -336566.9893 23159.4630 0.0000 0.0000 45484.1235 -222477.1925 165.4587 -267961.3160 -222041.5563 165.4587 -1249.6836 -2407.3055 921491.4634 -1249.6836 -2407.3055
ENERGY: 496 19722.4834 20130.6471 5708.0350 174.0933 -335998.7165 23154.2642 0.0000 0.0000 44699.5274 -222409.6660 162.6046 -267109.1934 -222049.0671 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5054 23166.3553 0.0000 0.0000 44261.0291 -222363.3511 161.0095 -266624.3802 -222042.7501 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0166 19957.1217 5718.5597 177.2604 -336366.4947 23189.3593 0.0000 0.0000 44728.2537 -222413.9234 162.7091 -267142.1771 -222044.5220 162.7091 -993.4678 -2331.6471 921491.4634 -993.4678 -2331.6471
ENERGY: 499 20158.0679 19847.7311 5722.4089 178.6361 -337058.4840 23219.2413 0.0000 0.0000 45439.2647 -222493.1340 165.2956 -267932.3987 -222047.2063 165.2956 -2020.8686 -2376.3388 921491.4634 -2020.8686 -2376.3388
Info: Benchmark time: 4 CPUs 0.457624 s/step 5.29658 days/ns 3224.25 MB memory
TIMING: 500 CPU: 234.307, 0.454381/step Wall: 234.307, 0.454381/step, 0 hours remaining, 3224.250000 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 -337741.4213 23251.1019 0.0000 0.0000 45359.0783 -222495.4093 165.0039 -267854.4876 -222061.0911 165.0039 -3197.5167 -2425.4140 921491.4634 -3197.5167 -2425.4140
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.508 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.508 MB of memory in use
====================================================
WallClock: 241.127319 CPUTime: 241.127319 Memory: 3229.507812 MB
[Partition 0][Node 0] End of program
Application 102327123 resources: utime ~947s, stime ~19s, Rss ~126700, inblocks ~67175, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2108573663938644900.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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