Skipping 717 KB..
Full Log
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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 ============== 54.696
LDB: Largest compute 200 load 0.429365 is 1.2% of average load 36.753363
LDB: Average compute 0.051482 is 0.1% of average load 36.753363
LDB: Partitioning computes with target load 3.675336
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055471
LDB: ============== END OF LOAD BALANCING =============== 54.6981
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.6989
Info: Initial time: 4 CPUs 0.474336 s/step 5.49 days/ns 3221.63 MB memory
TIMING: 100 CPU: 48.4048, 0.473292/step Wall: 48.4048, 0.473292/step, 0.052588 hours remaining, 3221.632812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.1493
LDB: ============== END OF LOAD BALANCING =============== 64.1494
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1499
TIMING: 120 CPU: 57.8555, 0.472534/step Wall: 57.8555, 0.472534/step, 0.0498786 hours remaining, 3221.789062 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 18898.7762 5736.4508 185.0194 -334776.0138 21118.0423 0.0000 0.0000 44811.1498 -222472.9666 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8526 19195.4802 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9640 -222340.8735 155.6399 -265125.8375 -222213.1811 155.6399 -2704.7055 -2927.3524 921491.4634 -2704.7055 -2927.3524
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TIMING: 140 CPU: 67.2967, 0.472061/step Wall: 67.2967, 0.472061/step, 0.0472061 hours remaining, 3221.972656 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: 76.7269, 0.471512/step Wall: 76.7269, 0.471512/step, 0.0445317 hours remaining, 3222.285156 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 22512.8126 18508.1493 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6069 -222342.9103 156.6790 -265413.5172 -222161.4905 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6964 -222309.0504 156.4429 -265314.7467 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 167 21026.8307 19216.2868 5755.9248 205.8794 -332212.1861 20917.6388 0.0000 0.0000 42775.8063 -222313.8193 155.6066 -265089.6256 -222150.5296 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1568 -222149.7707 154.5754 -1735.9906 -2933.5976 921491.4634 -1735.9906 -2933.5976
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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 18891.7630 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0275 162.6882 -267190.5395 -222127.3367 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3196 18664.1736 5738.9484 156.2659 -332371.2412 20981.6519 0.0000 0.0000 42714.2625 -222252.6193 155.3827 -264966.8818 -222125.5134 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1546 -222314.9822 156.7902 -265416.1368 -222126.1319 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.1469, 0.470999/step Wall: 86.1469, 0.470999/step, 0.0418666 hours remaining, 3222.285156 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 19424.9916 5710.5469 174.1844 -332181.9078 21042.4479 0.0000 0.0000 44880.5528 -222572.3087 163.2631 -267452.8615 -222144.6139 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0936 21043.7460 0.0000 0.0000 44391.5887 -222435.3688 161.4844 -266826.9575 -222129.2884 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0057 -222222.0798 154.4178 -264671.0854 -222130.9076 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8663 19594.9320 5717.4229 183.5644 -332319.6949 21082.8579 0.0000 0.0000 43603.6155 -222381.4359 158.6180 -265985.0514 -222096.3125 158.6180 -1480.5940 -2574.8091 921491.4634 -1480.5940 -2574.8091
ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3655 -222242.4585 154.8738 -264816.8240 -222086.7178 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2864 -222391.0318 159.7372 -266302.3183 -222090.4389 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.862
LDB: Largest compute 200 load 0.424656 is 1.2% of average load 36.575473
LDB: Average compute 0.051228 is 0.1% of average load 36.575473
LDB: TIME 101.864 LOAD: AVG 36.5755 MAX 37.7123 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.66 MB
LDB: TIME 101.866 LOAD: AVG 36.5755 MAX 37.5124 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.66 MB
LDB: ============== END OF LOAD BALANCING =============== 101.868
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.871
Info: Initial time: 4 CPUs 0.471561 s/step 5.45789 days/ns 3223.9 MB memory
TIMING: 200 CPU: 95.5706, 0.471184/step Wall: 95.5706, 0.471184/step, 0.0392653 hours remaining, 3223.898438 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 21073.6837 18595.6349 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7131 21239.1340 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2004 -2661.1901 921491.4634 -4546.2004 -2661.1901
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6235 -222096.8290 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2200 21188.8402 0.0000 0.0000 45629.4720 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0791 19868.9415 5735.7153 189.6741 -332398.2552 21197.9185 0.0000 0.0000 44690.7150 -222526.2116 162.5725 -267216.9266 -222099.8060 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0586 -222274.9356 154.3816 -264713.9942 -222100.3397 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9793 21289.9001 0.0000 0.0000 42143.6916 -222226.4458 153.3072 -264370.1375 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6272 -222472.1865 161.6191 -266900.8137 -222122.6314 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2416 21349.5044 0.0000 0.0000 46273.6802 -222642.3815 168.3309 -268916.0617 -222106.7900 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
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 20194.2569 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2016 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7286 -222254.1128 156.5376 -265285.8415 -222106.8541 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2709 19730.8223 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8666 -222104.2319 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7807 -222504.4447 165.2210 -267923.2254 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6747 -222527.8917 164.7987 -267830.5664 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1789 -222248.3317 154.3930 -264690.5106 -222073.6155 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6752 -222225.0682 152.7251 -264208.7434 -222064.4463 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6837 -222478.5359 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0654 -2703.9747 921491.4634 -2628.0654 -2703.9747
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TIMING: 220 CPU: 104.983, 0.470644/step Wall: 104.983, 0.470644/step, 0.0366057 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.388, 0.470249/step Wall: 114.388, 0.470249/step, 0.0339625 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8721 -222396.7194 158.3388 -265923.5914 -222063.5734 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0691 -222575.9244 165.6513 -268112.9934 -222061.6672 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1663 -222554.1192 165.9864 -268183.2855 -222078.7769 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5249 -222360.5915 160.6730 -266529.1164 -222068.6364 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4183 -222284.3176 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1913 -222431.6935 163.3782 -267343.8848 -222068.1392 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4297 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9362 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1598 5733.2541 193.8023 -336093.2672 21826.9296 0.0000 0.0000 43905.3721 -222425.8453 159.7157 -266331.2174 -222091.3302 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1802 21784.0537 0.0000 0.0000 45520.0193 -222581.3409 165.5893 -268101.3602 -222082.7202 165.5893 -3300.1271 -2735.8131 921491.4634 -3300.1271 -2735.8131
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ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9230 21746.1516 0.0000 0.0000 43667.4213 -222349.0407 158.8501 -266016.4620 -222078.3972 158.8501 -2282.5424 -2662.7813 921491.4634 -2282.5424 -2662.7813
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1614 -222297.2436 157.0812 -265478.4050 -222071.2738 157.0812 -2042.2409 -2664.5198 921491.4634 -2042.2409 -2664.5198
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0358 -222060.1682 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5869 18882.0667 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2329 -2737.1919 921491.4634 -2331.2329 -2737.1919
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TIMING: 260 CPU: 123.783, 0.469706/step Wall: 123.783, 0.469706/step, 0.0313138 hours remaining, 3224.203125 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 19188.2463 5675.1875 191.0393 -336169.7730 21924.7894 0.0000 0.0000 44083.4307 -222362.1255 160.3634 -266445.5562 -222069.6811 160.3634 -3407.4793 -2810.9877 921491.4634 -3407.4793 -2810.9877
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ENERGY: 262 21606.2722 19814.6778 5694.0656 188.7122 -336291.7858 21947.6075 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7559 -2810.4636 921491.4634 -3214.7559 -2810.4636
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ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9511 21907.7773 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6632 21906.0164 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4578 21914.4806 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8299 -222075.9873 163.0557 -2903.2126 -2658.6180 921491.4634 -2903.2126 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9166 5690.3173 187.1618 -336650.6773 22028.8071 0.0000 0.0000 44308.0076 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
ENERGY: 271 22345.5822 19078.8064 5690.0209 186.1610 -336571.7890 22035.2502 0.0000 0.0000 44829.4474 -222406.5210 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0660 5692.8269 184.9335 -335921.4610 22015.0580 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0184 -222081.1569 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7009 21985.5296 0.0000 0.0000 45502.7161 -222499.9692 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5273 -222412.2138 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1005 22041.3359 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3649 19593.9432 5677.5176 184.5187 -335888.5802 22096.4199 0.0000 0.0000 43975.0881 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.164, 0.469083/step Wall: 133.164, 0.469083/step, 0.0286662 hours remaining, 3224.203125 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: 286 19396.6310 20966.5623 5721.5031 185.8229 -334658.1148 22176.6862 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1479 22200.2910 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 20263.2089 20475.2851 5736.9557 182.7335 -335468.3149 22237.9037 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9052 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.868
LDB: Largest compute 200 load 0.521867 is 1.1% of average load 45.698076
LDB: Average compute 0.064000 is 0.1% of average load 45.698076
LDB: TIME 148.869 LOAD: AVG 45.6981 MAX 46.9835 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.56 MB
LDB: TIME 148.87 LOAD: AVG 45.6981 MAX 46.9835 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.56 MB
LDB: TIME 148.885 LOAD: AVG 45.6981 MAX 46.2206 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.56 MB
LDB: ============== END OF LOAD BALANCING =============== 148.886
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.888
Info: Initial time: 4 CPUs 0.469717 s/step 5.43654 days/ns 3224.56 MB memory
TIMING: 300 CPU: 142.563, 0.469929/step Wall: 142.563, 0.469929/step, 0.0261072 hours remaining, 3224.558594 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: 151.774, 0.460548/step Wall: 151.774, 0.460548/step, 0.0230274 hours remaining, 3224.558594 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: 160.981, 0.46037/step Wall: 160.981, 0.46037/step, 0.0204609 hours remaining, 3224.558594 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: 170.181, 0.460012/step Wall: 170.181, 0.460012/step, 0.0178893 hours remaining, 3224.558594 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: 377 20646.4607 20251.1592 5706.5521 182.3248 -335763.5796 22794.3773 0.0000 0.0000 43848.2751 -222334.4301 159.5080 -266182.7053 -222041.4012 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2273 22821.5836 0.0000 0.0000 44474.7534 -222423.6620 161.7869 -266898.4153 -222044.3966 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.375, 0.459685/step Wall: 179.375, 0.459685/step, 0.0153228 hours remaining, 3224.558594 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 19981.2272 19220.9466 5707.6638 175.9384 -334865.1817 22880.7955 0.0000 0.0000 44519.8586 -222378.7515 161.9510 -266898.6101 -222051.0437 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2859 19202.4846 5710.9354 174.6759 -335109.8726 22905.2741 0.0000 0.0000 44377.1817 -222372.0349 161.4320 -266749.2166 -222053.0049 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
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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 ============== 194.903
LDB: Largest compute 230 load 0.523075 is 1.1% of average load 45.572125
LDB: Average compute 0.063815 is 0.1% of average load 45.572125
LDB: TIME 194.905 LOAD: AVG 45.5721 MAX 46.0154 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.56 MB
LDB: TIME 194.906 LOAD: AVG 45.5721 MAX 46.0154 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.56 MB
LDB: TIME 194.906 LOAD: AVG 45.5721 MAX 46.0154 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.56 MB
LDB: ============== END OF LOAD BALANCING =============== 194.906
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.907
Info: Benchmark time: 4 CPUs 0.460091 s/step 5.32512 days/ns 3224.56 MB memory
TIMING: 400 CPU: 188.576, 0.460034/step Wall: 188.576, 0.460034/step, 0.0127787 hours remaining, 3224.558594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 408 19735.8470 19387.6648 5692.2152 187.5226 -335902.8218 23017.8168 0.0000 0.0000 45394.4122 -222487.3432 165.1324 -267881.7554 -222063.5311 165.1324 -920.8284 -2294.1558 921491.4634 -920.8284 -2294.1558
ENERGY: 409 20350.1189 19376.4611 5688.4775 191.1593 -336896.6847 23057.9917 0.0000 0.0000 45733.6059 -222498.8703 166.3663 -268232.4762 -222051.6704 166.3663 -2367.4923 -2346.9327 921491.4634 -2367.4923 -2346.9327
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: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5316 23125.1113 0.0000 0.0000 45113.2144 -222465.8868 164.1095 -267579.1012 -222055.3452 164.1095 -3850.6270 -2398.9550 921491.4634 -3850.6270 -2398.9550
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ENERGY: 415 19745.2665 20572.1258 5708.7452 198.1487 -336456.1969 23071.1989 0.0000 0.0000 44733.2274 -222427.4843 162.7272 -267160.7118 -222049.0345 162.7272 -1174.6451 -2266.5616 921491.4634 -1174.6451 -2266.5616
ENERGY: 416 19942.3168 20661.9895 5710.0857 195.6953 -336157.5858 23063.1713 0.0000 0.0000 44200.2852 -222384.0420 160.7885 -266584.3271 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3749 20631.3208 5709.0494 192.4696 -336373.1073 23072.1098 0.0000 0.0000 44338.4621 -222398.3208 161.2911 -266736.7829 -222044.6992 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6536 -336970.7868 23098.6726 0.0000 0.0000 44915.1424 -222450.9777 163.3889 -267366.1201 -222046.7092 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7633 20185.5523 5700.4811 184.6054 -337717.8759 23139.8024 0.0000 0.0000 45250.3102 -222466.3612 164.6082 -267716.6714 -222049.5949 164.6082 -1783.9423 -2336.6464 921491.4634 -1783.9423 -2336.6464
TIMING: 420 CPU: 197.738, 0.458094/step Wall: 197.738, 0.458094/step, 0.0101799 hours remaining, 3224.558594 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: 423 21418.8985 19324.4276 5689.6736 172.2145 -337416.8966 23180.6043 0.0000 0.0000 45183.9717 -222447.1063 164.3669 -267631.0780 -222051.5232 164.3669 -3955.8306 -2434.9305 921491.4634 -3955.8306 -2434.9305
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ENERGY: 427 19598.5315 19595.2905 5707.1504 168.7509 -335498.4332 23074.5012 0.0000 0.0000 44915.2778 -222438.9309 163.3894 -267354.2087 -222048.7337 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4229 19760.4176 5710.4628 168.5259 -336199.9864 23087.7682 0.0000 0.0000 44884.2596 -222448.1293 163.2766 -267332.3889 -222058.0546 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -2206.9583
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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 22013.9874 20024.3741 5712.1700 168.1897 -338096.9213 23149.4499 0.0000 0.0000 44626.3100 -222402.4403 162.3383 -267028.7502 -222047.3911 162.3383 -2472.2457 -2268.0463 921491.4634 -2472.2457 -2268.0463
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ENERGY: 432 21768.3703 20188.6725 5710.3547 168.1086 -338651.2106 23176.0852 0.0000 0.0000 45177.9910 -222461.6283 164.3451 -267639.6193 -222065.9056 164.3451 -3350.2740 -2296.1496 921491.4634 -3350.2740 -2296.1496
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0640 23162.2916 0.0000 0.0000 45192.9283 -222453.1309 164.3995 -267646.0592 -222052.5980 164.3995 -3187.3730 -2272.1274 921491.4634 -3187.3730 -2272.1274
ENERGY: 434 20730.3412 20338.1499 5711.6061 169.3247 -337394.2705 23140.7741 0.0000 0.0000 44883.0995 -222420.9749 163.2724 -267304.0744 -222051.1460 163.2724 -2694.3105 -2227.7883 921491.4634 -2694.3105 -2227.7883
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6556 23123.4103 0.0000 0.0000 44675.9837 -222398.7942 162.5189 -267074.7779 -222049.5887 162.5189 -2061.3579 -2179.8949 921491.4634 -2061.3579 -2179.8949
ENERGY: 436 19670.9241 20349.9982 5717.2345 173.0864 -336303.8815 23119.9084 0.0000 0.0000 44847.0982 -222425.6316 163.1414 -267272.7299 -222059.6959 163.1414 -1520.6595 -2145.1615 921491.4634 -1520.6595 -2145.1615
ENERGY: 437 19434.5515 20329.5093 5720.9894 175.9827 -336411.9789 23136.3874 0.0000 0.0000 45159.2687 -222455.2900 164.2770 -267614.5587 -222050.7502 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1533 20278.6096 5724.6884 179.3848 -336899.4583 23173.5526 0.0000 0.0000 45148.1323 -222459.9373 164.2365 -267608.0696 -222051.5667 164.2365 -1493.0941 -2145.0880 921491.4634 -1493.0941 -2145.0880
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TIMING: 440 CPU: 206.901, 0.45818/step Wall: 206.901, 0.45818/step, 0.00763634 hours remaining, 3224.558594 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 22071.5685 20036.2373 5729.7527 186.7202 -338123.1820 23276.2492 0.0000 0.0000 44417.5459 -222405.1082 161.5788 -266822.6541 -222059.4775 161.5788 -2408.4614 -2197.9671 921491.4634 -2408.4614 -2197.9671
ENERGY: 441 22355.5487 19860.0412 5730.3488 190.1146 -338361.1729 23313.2051 0.0000 0.0000 44502.6964 -222409.2182 161.8886 -266911.9146 -222050.0863 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6118 19664.5353 5729.4854 192.9412 -338090.1547 23327.1574 0.0000 0.0000 44880.6319 -222441.7916 163.2634 -267322.4236 -222049.7758 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3316 19487.0728 5727.6164 194.9329 -337369.3163 23320.0164 0.0000 0.0000 45118.1105 -222457.2357 164.1273 -267575.3462 -222048.5999 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3364 19357.2695 5725.4095 195.8735 -336464.1931 23301.5282 0.0000 0.0000 44987.7173 -222447.0588 163.6530 -267434.7761 -222057.9798 163.6530 -2090.2097 -2206.4398 921491.4634 -2090.2097 -2206.4398
ENERGY: 445 20125.5607 19307.2522 5723.6513 195.6942 -335759.3921 23283.8145 0.0000 0.0000 44708.7150 -222414.7042 162.6380 -267123.4192 -222046.5429 162.6380 -1846.9624 -2201.6924 921491.4634 -1846.9624 -2201.6924
ENERGY: 446 19947.6803 19324.9010 5722.5430 194.3235 -335494.5714 23276.0457 0.0000 0.0000 44620.2941 -222408.7839 162.3164 -267029.0780 -222046.1621 162.3164 -1800.7515 -2216.7292 921491.4634 -1800.7515 -2216.7292
ENERGY: 447 19914.2846 19416.0213 5722.2107 191.8642 -335769.4404 23282.7463 0.0000 0.0000 44816.5083 -222425.8050 163.0301 -267242.3133 -222046.8343 163.0301 -1993.3110 -2253.0601 921491.4634 -1993.3110 -2253.0601
ENERGY: 448 20187.5922 19583.6801 5722.5764 188.5554 -336503.1802 23303.8909 0.0000 0.0000 45065.6668 -222451.2184 163.9365 -267516.8852 -222059.3480 163.9365 -2372.1876 -2303.7896 921491.4634 -2372.1876 -2303.7896
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1298 5724.4776 181.0898 -338419.3247 23364.6247 0.0000 0.0000 44854.3088 -222432.2085 163.1676 -267286.5173 -222048.7860 163.1676 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5902 20357.7253 5724.7144 177.6517 -338952.0905 23381.8011 0.0000 0.0000 44542.6979 -222411.9099 162.0341 -266954.6078 -222048.8245 162.0341 -3074.2532 -2405.7796 921491.4634 -3074.2532 -2405.7796
ENERGY: 452 22246.2014 20536.0133 5723.8953 174.8859 -338927.1533 23378.0946 0.0000 0.0000 44452.9188 -222415.1440 161.7075 -266868.0628 -222059.6371 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8726 20641.1310 5722.2878 173.1350 -338392.7929 23354.5910 0.0000 0.0000 44683.7025 -222418.0730 162.5470 -267101.7755 -222043.5372 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1409 23320.6903 0.0000 0.0000 45008.1456 -222443.2442 163.7273 -267451.3898 -222041.8392 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7905 20584.7120 5718.4844 172.5169 -336790.6448 23290.4024 0.0000 0.0000 45086.5781 -222451.1603 164.0126 -267537.7385 -222040.8570 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3718 20440.6801 5717.7555 173.4248 -336350.1072 23274.9631 0.0000 0.0000 44811.4722 -222438.4396 163.0118 -267249.9118 -222055.3486 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4926 20251.9435 5718.5580 174.9241 -336395.8163 23277.8274 0.0000 0.0000 44521.8704 -222403.2003 161.9583 -266925.0707 -222049.4133 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8434 20019.2724 5720.7060 176.6081 -336835.0960 23294.7172 0.0000 0.0000 44632.7890 -222405.1600 162.3618 -267037.9489 -222051.2823 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
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TIMING: 460 CPU: 216.059, 0.457871/step Wall: 216.059, 0.457871/step, 0.00508745 hours remaining, 3224.558594 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 19597.9066 5728.0971 179.4910 -338014.3772 23341.7999 0.0000 0.0000 45423.8570 -222480.6115 165.2395 -267904.4685 -222064.6835 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
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ENERGY: 462 22264.2257 19487.8114 5736.4822 180.9531 -337988.7176 23351.1082 0.0000 0.0000 44559.9297 -222408.2073 162.0968 -266968.1370 -222056.7213 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1793 19513.9021 5738.9361 181.1160 -337284.1034 23326.9472 0.0000 0.0000 44313.4575 -222388.5651 161.2002 -266702.0226 -222054.6241 161.2002 -2012.4426 -2264.0780 921491.4634 -2012.4426 -2264.0780
ENERGY: 464 20535.2462 19559.9278 5739.2518 181.0096 -336389.3844 23291.1935 0.0000 0.0000 44654.0271 -222428.7283 162.4391 -267082.7554 -222058.5728 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7827 19631.8859 5737.2898 180.7155 -335701.1535 23259.7384 0.0000 0.0000 45094.5693 -222474.1718 164.0416 -267568.7411 -222052.9386 164.0416 -512.3347 -2174.4010 921491.4634 -512.3347 -2174.4010
ENERGY: 466 19088.4508 19708.3585 5733.2107 180.2808 -335443.7724 23245.0596 0.0000 0.0000 45020.7915 -222467.6205 163.7733 -267488.4120 -222052.9784 163.7733 -630.3315 -2182.6713 921491.4634 -630.3315 -2182.6713
ENERGY: 467 19841.8067 19783.1745 5727.6704 179.7757 -335721.0947 23249.4521 0.0000 0.0000 44523.6673 -222415.5481 161.9649 -266939.2154 -222054.3493 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8480 19845.4944 5721.5089 179.2779 -336451.5663 23265.8116 0.0000 0.0000 44291.6592 -222385.9662 161.1209 -266677.6255 -222056.3590 161.1209 -2508.6717 -2314.1343 921491.4634 -2508.6717 -2314.1343
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3198 23284.3952 0.0000 0.0000 44720.3208 -222412.5672 162.6802 -267132.8880 -222046.0749 162.6802 -3596.7410 -2405.7975 921491.4634 -3596.7410 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8935 5710.9491 178.5947 -338383.2504 23297.0662 0.0000 0.0000 45346.4580 -222466.1156 164.9580 -267812.5736 -222047.6088 164.9580 -4259.7000 -2477.6835 921491.4634 -4259.7000 -2477.6835
ENERGY: 471 21732.8679 20054.6835 5707.9626 178.5890 -338913.2447 23297.5074 0.0000 0.0000 45471.3372 -222470.2970 165.4122 -267941.6343 -222047.5359 165.4122 -4290.5689 -2504.3179 921491.4634 -4290.5689 -2504.3179
ENERGY: 472 22081.2362 20161.5551 5707.0091 178.9047 -338870.6763 23279.4480 0.0000 0.0000 45028.5302 -222433.9930 163.8014 -267462.5232 -222059.5059 163.8014 -3659.7366 -2479.9188 921491.4634 -3659.7366 -2479.9188
ENERGY: 473 21866.1362 20289.3425 5707.9843 179.6165 -338307.7184 23240.7352 0.0000 0.0000 44634.5177 -222389.3860 162.3681 -267023.9038 -222043.8541 162.3681 -2556.3620 -2408.1662 921491.4634 -2556.3620 -2408.1662
ENERGY: 474 20842.9703 20372.0985 5710.2160 180.7466 -337438.4544 23189.2337 0.0000 0.0000 44733.2310 -222409.9583 162.7272 -267143.1893 -222041.2621 162.7272 -1295.5528 -2316.2732 921491.4634 -1295.5528 -2316.2732
ENERGY: 475 19674.2078 20371.7672 5712.9876 182.2512 -336604.2303 23142.3807 0.0000 0.0000 45070.2142 -222450.4217 163.9531 -267520.6359 -222039.4531 163.9531 -344.6452 -2232.2130 921491.4634 -344.6452 -2232.2130
ENERGY: 476 19235.7858 20282.0273 5715.7683 184.0125 -336100.0891 23115.8456 0.0000 0.0000 45106.0637 -222460.5860 164.0835 -267566.6497 -222053.6137 164.0835 -92.4051 -2183.0656 921491.4634 -92.4051 -2183.0656
ENERGY: 477 19704.7248 20145.9812 5718.4976 185.9230 -336101.8779 23114.2929 0.0000 0.0000 44812.3211 -222420.1373 163.0149 -267232.4584 -222044.8410 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4777 19974.7638 5721.0254 187.7262 -336537.4028 23131.2450 0.0000 0.0000 44627.0334 -222402.1313 162.3409 -267029.1647 -222047.4105 162.3409 -1807.1607 -2198.7959 921491.4634 -1807.1607 -2198.7959
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2099 -337215.5832 23156.6763 0.0000 0.0000 44802.1578 -222425.5081 162.9779 -267227.6659 -222050.5459 162.9779 -3089.8520 -2246.7920 921491.4634 -3089.8520 -2246.7920
TIMING: 480 CPU: 225.209, 0.457514/step Wall: 225.209, 0.457514/step, 0.00254174 hours remaining, 3224.558594 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 21624.0329 19623.1966 5725.3111 190.1900 -337854.6780 23181.5110 0.0000 0.0000 45051.6815 -222458.7549 163.8856 -267510.4364 -222064.6209 163.8856 -4077.7330 -2291.4894 921491.4634 -4077.7330 -2291.4894
ENERGY: 481 22092.4854 19510.0435 5727.0952 190.6351 -338199.2476 23196.7951 0.0000 0.0000 45041.3370 -222440.8562 163.8480 -267482.1932 -222052.5265 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3467 19466.6796 5728.4964 190.3598 -338044.5413 23192.7468 0.0000 0.0000 44865.8522 -222414.0599 163.2096 -267279.9121 -222051.4111 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1412 19511.5747 5729.5660 189.3226 -337426.2180 23165.8734 0.0000 0.0000 44861.8971 -222414.8429 163.1953 -267276.7399 -222048.7671 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8924 19631.1941 5730.2465 187.5455 -336590.8880 23126.1346 0.0000 0.0000 45003.6033 -222451.2716 163.7107 -267454.8749 -222059.8741 163.7107 -1565.2424 -2143.1851 921491.4634 -1565.2424 -2143.1851
ENERGY: 485 19688.7718 19800.2992 5730.5256 185.2458 -335902.5862 23092.8466 0.0000 0.0000 44955.5727 -222449.3245 163.5360 -267404.8972 -222045.9604 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5423 19954.8176 5729.7198 182.4662 -335612.3564 23080.3804 0.0000 0.0000 44645.9120 -222416.5180 162.4096 -267062.4301 -222044.6759 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0923 20072.0213 5727.4347 179.4360 -335846.4481 23091.0542 0.0000 0.0000 44503.3498 -222392.0598 161.8910 -266895.4096 -222045.2406 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2098 20156.1361 5723.5441 176.4338 -336552.5455 23118.8615 0.0000 0.0000 44827.0561 -222425.3041 163.0685 -267252.3602 -222057.1938 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8874 20236.4608 5718.5748 173.8639 -337540.4661 23156.7310 0.0000 0.0000 45266.1008 -222461.8473 164.6656 -267727.9481 -222045.6086 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7493 20292.9021 5712.8912 171.8438 -338458.1369 23196.4878 0.0000 0.0000 45213.5633 -222459.6994 164.4745 -267673.2627 -222048.2208 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4644 20312.1359 5707.3795 170.5404 -338984.5803 23226.0939 0.0000 0.0000 44733.0094 -222404.9569 162.7264 -267137.9663 -222049.4638 162.7264 -4629.6934 -2524.6213 921491.4634 -4629.6934 -2524.6213
ENERGY: 492 22612.9551 20289.6809 5702.9944 170.0208 -338937.5825 23232.7208 0.0000 0.0000 44542.1955 -222387.0151 162.0323 -266929.2106 -222060.3860 162.0323 -4606.8524 -2557.4728 921491.4634 -4606.8524 -2557.4728
ENERGY: 493 21558.2190 20260.7372 5700.7779 170.3201 -338358.0641 23214.0540 0.0000 0.0000 45033.8234 -222420.1326 163.8207 -267453.9560 -222046.5901 163.8207 -3796.3817 -2540.0994 921491.4634 -3796.3817 -2540.0994
ENERGY: 494 20068.3365 20225.0259 5700.9806 171.2193 -337454.3841 23183.0800 0.0000 0.0000 45622.2480 -222483.4939 165.9612 -268105.7419 -222044.0868 165.9612 -2500.8989 -2482.1066 921491.4634 -2500.8989 -2482.1066
ENERGY: 495 19383.2460 20186.8299 5703.5926 172.5416 -336566.9892 23159.4630 0.0000 0.0000 45484.1235 -222477.1925 165.4587 -267961.3161 -222041.5563 165.4587 -1249.6833 -2407.3053 921491.4634 -1249.6833 -2407.3053
ENERGY: 496 19722.4831 20130.6471 5708.0350 174.0933 -335998.7160 23154.2641 0.0000 0.0000 44699.5274 -222409.6659 162.6046 -267109.1933 -222049.0669 162.6046 -478.8994 -2343.4748 921491.4634 -478.8994 -2343.4748
ENERGY: 497 20212.6667 20059.9176 5713.4613 175.7242 -335952.5048 23166.3551 0.0000 0.0000 44261.0290 -222363.3509 161.0095 -266624.3799 -222042.7499 161.0095 -421.0229 -2316.7925 921491.4634 -421.0229 -2316.7925
ENERGY: 498 20182.0166 19957.1217 5718.5597 177.2604 -336366.4941 23189.3591 0.0000 0.0000 44728.2534 -222413.9232 162.7091 -267142.1766 -222044.5218 162.7091 -993.4677 -2331.6470 921491.4634 -993.4677 -2331.6470
ENERGY: 499 20158.0681 19847.7311 5722.4090 178.6361 -337058.4834 23219.2411 0.0000 0.0000 45439.2643 -222493.1338 165.2956 -267932.3981 -222047.2061 165.2956 -2020.8686 -2376.3388 921491.4634 -2020.8686 -2376.3388
Info: Benchmark time: 4 CPUs 0.457136 s/step 5.29093 days/ns 3224.56 MB memory
TIMING: 500 CPU: 234.29, 0.454031/step Wall: 234.29, 0.454031/step, 0 hours remaining, 3224.558594 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 20974.8940 19756.6587 5724.4523 179.8271 -337741.4204 23251.1015 0.0000 0.0000 45359.0776 -222495.4092 165.0039 -267854.4868 -222061.0910 165.0039 -3197.5168 -2425.4140 921491.4634 -3197.5168 -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, 3229.855 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.855 MB of memory in use
====================================================
WallClock: 241.510284 CPUTime: 241.510284 Memory: 3229.855469 MB
[Partition 0][Node 0] End of program
Application 109809835 resources: utime ~948s, stime ~19s, Rss ~126956, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.510284
CPU=241.510284
MEM=3229.855469
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins13804831534930118701.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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