Skipping 713 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 ============== 54.5216
LDB: Largest compute 200 load 0.429165 is 1.2% of average load 36.821084
LDB: Average compute 0.051579 is 0.1% of average load 36.821084
LDB: Partitioning computes with target load 3.682108
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055280
LDB: ============== END OF LOAD BALANCING =============== 54.5237
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5246
Info: Initial time: 4 CPUs 0.474439 s/step 5.49119 days/ns 3221.63 MB memory
TIMING: 100 CPU: 48.4184, 0.473563/step Wall: 48.4184, 0.473563/step, 0.0526181 hours remaining, 3221.628906 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 ============== 63.9753
LDB: ============== END OF LOAD BALANCING =============== 63.9754
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9758
TIMING: 120 CPU: 57.8683, 0.472499/step Wall: 57.8683, 0.472499/step, 0.0498749 hours remaining, 3221.769531 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: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1804 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4339 21083.5324 0.0000 0.0000 42784.9638 -222340.8736 155.6399 -265125.8374 -222213.1812 155.6399 -2704.7053 -2927.3524 921491.4634 -2704.7053 -2927.3524
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TIMING: 140 CPU: 67.3137, 0.472266/step Wall: 67.3137, 0.472266/step, 0.0472266 hours remaining, 3222.046875 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: 76.7463, 0.471633/step Wall: 76.7463, 0.471633/step, 0.0445431 hours remaining, 3222.210938 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 174.4915 -333735.9155 20833.5471 0.0000 0.0000 44515.8596 -222542.3534 161.9365 -267058.2130 -222175.6787 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8127 18508.1493 5697.2826 183.0024 -333202.6498 20887.8856 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4908 156.6790 -5004.1556 -2859.8871 921491.4634 -5004.1556 -2859.8871
ENERGY: 163 21937.9853 18346.8657 5696.1509 188.4544 -332368.8226 20884.6195 0.0000 0.0000 43005.6962 -222309.0506 156.4429 -265314.7468 -222160.7802 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
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ENERGY: 167 21026.8305 19216.2867 5755.9248 205.8794 -332212.1859 20917.6388 0.0000 0.0000 42775.8062 -222313.8195 155.6066 -265089.6257 -222150.5298 155.6066 -1671.2497 -2889.5868 921491.4634 -1671.2497 -2889.5868
ENERGY: 168 21619.4180 19999.6889 5775.3367 206.4584 -333382.4924 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9904 -2933.5977 921491.4634 -1735.9904 -2933.5977
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1037 18891.7630 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5120 -222468.0279 162.6882 -267190.5400 -222127.3371 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3194 18664.1736 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2624 -222252.6197 155.3827 -264966.8821 -222125.5138 155.3827 -2870.6844 -2681.8089 921491.4634 -2870.6844 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1370 -222126.1323 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.1657, 0.47097/step Wall: 86.1657, 0.47097/step, 0.041864 hours remaining, 3222.351562 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 18376.8756 19424.9914 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5528 -222572.3090 163.2631 -267452.8618 -222144.6142 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0856 -222130.9079 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -2802.0867
ENERGY: 188 22101.1829 19886.6773 5676.0120 186.3502 -334382.7610 21093.9044 0.0000 0.0000 43113.1615 -222325.4726 156.8338 -265438.6341 -222135.3908 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
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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 19122.7580 5714.1451 184.7200 -332668.2730 21129.4587 0.0000 0.0000 42574.3653 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.696
LDB: Largest compute 200 load 0.425123 is 1.2% of average load 36.641497
LDB: Average compute 0.051323 is 0.1% of average load 36.641497
LDB: TIME 101.698 LOAD: AVG 36.6415 MAX 37.7205 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.67 MB
LDB: TIME 101.7 LOAD: AVG 36.6415 MAX 37.5437 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.67 MB
LDB: ============== END OF LOAD BALANCING =============== 101.702
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.705
Info: Initial time: 4 CPUs 0.471681 s/step 5.45927 days/ns 3223.33 MB memory
TIMING: 200 CPU: 95.5964, 0.471535/step Wall: 95.5964, 0.471535/step, 0.0392946 hours remaining, 3223.328125 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 21073.6836 18595.6349 5711.8747 190.0258 -334670.2809 21209.9247 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3332 5716.2802 191.4189 -334751.7130 21239.1340 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2006 -2661.1901 921491.4634 -4546.2006 -2661.1901
ENERGY: 202 23622.8118 18850.8449 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6234 -222096.8291 154.3580 -3005.0521 -2588.0014 921491.4634 -3005.0521 -2588.0014
ENERGY: 203 20743.8947 19130.0389 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8260 -2512.4436 921491.4634 -1046.8260 -2512.4436
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2200 21188.8402 0.0000 0.0000 45629.4720 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9931 -2462.2930 921491.4634 452.9931 -2462.2930
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2551 21197.9185 0.0000 0.0000 44690.7149 -222526.2118 162.5725 -267216.9267 -222099.8062 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3434 21241.8390 0.0000 0.0000 42439.0584 -222274.9357 154.3816 -264713.9941 -222100.3398 154.3816 -230.6568 -2488.2938 921491.4634 -230.6568 -2488.2938
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9790 21289.9000 0.0000 0.0000 42143.6913 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2375 21322.2409 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8134 -222122.6314 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8169 20325.0060 5710.3389 180.5135 -335910.2411 21349.5043 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -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 21385.1734 20194.2570 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4616 -222108.2015 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8633 5704.9373 176.9105 -336667.8927 21415.1476 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8412 -222106.8541 156.5376 -5900.2979 -2885.1010 921491.4634 -5900.2979 -2885.1010
ENERGY: 212 23739.2711 19730.8223 5710.0295 176.0352 -336013.6227 21412.5982 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1004 -2820.3211 921491.4634 -4424.1004 -2820.3211
ENERGY: 213 20150.2162 19524.5249 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3119 -2725.0841 921491.4634 -2174.3119 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3935 21358.4484 0.0000 0.0000 46958.4703 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3320 21379.5595 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1058 21436.4835 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6754 21497.2704 0.0000 0.0000 41983.6749 -222225.0682 152.7251 -264208.7431 -222064.4464 152.7251 -882.1698 -2598.7244 921491.4634 -882.1698 -2598.7244
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1144 21546.6560 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0651 -2703.9747 921491.4634 -2628.0651 -2703.9747
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TIMING: 220 CPU: 105.027, 0.471519/step Wall: 105.027, 0.471519/step, 0.0366737 hours remaining, 3223.328125 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: 114.448, 0.471063/step Wall: 114.448, 0.471063/step, 0.0340212 hours remaining, 3223.328125 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 22110.7718 20111.8208 5758.5348 169.0441 -335904.8195 21831.0566 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6445 5749.3614 168.8705 -335233.7067 21770.4747 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9934 -222061.6673 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2465 19849.3935 5737.4544 169.6534 -334482.6009 21720.5675 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5945 21701.2469 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5480 19853.7026 5716.8932 174.1558 -334213.1204 21705.0849 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5285 19979.6441 5712.7400 177.5412 -334802.1840 21719.8453 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4923 20164.4297 5713.8450 181.3144 -335623.1353 21746.4310 0.0000 0.0000 46185.9362 -222595.6867 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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 21994.9042 20013.1599 5733.2541 193.8023 -336093.2678 21826.9294 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2178 -222091.3306 159.7157 -3843.4683 -2758.0339 921491.4634 -3843.4683 -2758.0339
ENERGY: 253 19499.8638 19667.1121 5729.5496 195.2411 -334977.1808 21784.0535 0.0000 0.0000 45520.0193 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1275 -2735.8132 921491.4634 -3300.1275 -2735.8132
ENERGY: 254 19073.0882 19348.2295 5720.5008 195.9622 -333839.8798 21752.6523 0.0000 0.0000 45220.9195 -222528.5273 164.5013 -267749.4468 -222080.4687 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9232 21746.1514 0.0000 0.0000 43667.4212 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5425 -2662.7815 921491.4634 -2282.5425 -2662.7815
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5969 21757.6846 0.0000 0.0000 43181.1612 -222297.2437 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5651 18878.1872 5681.1759 194.7976 -333481.0035 21780.2418 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0359 -222060.1682 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5865 18882.0665 5673.2911 193.6684 -334373.1541 21817.5076 0.0000 0.0000 45796.2579 -222556.7761 166.5942 -268353.0340 -222062.0607 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.861, 0.470662/step Wall: 123.861, 0.470662/step, 0.0313775 hours remaining, 3223.632812 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
ENERGY: 260 22744.9543 19188.2462 5675.1875 191.0393 -336169.7728 21924.7892 0.0000 0.0000 44083.4306 -222362.1256 160.3634 -266445.5562 -222069.6812 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2725 19814.6778 5694.0656 188.7122 -336291.7859 21947.6073 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7562 -2810.4637 921491.4634 -3214.7562 -2810.4637
ENERGY: 263 19781.1229 20140.5623 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7771 -222527.2803 164.9700 -267877.0574 -222051.1546 164.9700 -2647.8117 -2773.3904 921491.4634 -2647.8117 -2773.3904
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9512 21907.7771 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8415 20681.9927 5713.6242 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4576 21914.4803 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0904 20691.2679 5707.0583 187.8501 -334831.4853 21930.8373 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7446 21959.1256 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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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 22620.1934 19450.9168 5690.3173 187.1618 -336650.6772 22028.8069 0.0000 0.0000 44308.0074 -222365.2736 161.1804 -266673.2811 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7890 22035.2499 0.0000 0.0000 44829.4472 -222406.5210 163.0772 -267235.9683 -222066.8385 163.0772 -3261.2176 -2569.2623 921491.4634 -3261.2176 -2569.2623
ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4613 22015.0578 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7011 21985.5294 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1977 -2434.6760 921491.4634 -1837.1977 -2434.6760
ENERGY: 274 20074.7417 19121.4862 5701.6806 183.0070 -333931.6255 21965.2975 0.0000 0.0000 44478.5175 -222406.8951 161.8006 -266885.4126 -222066.8028 161.8006 -1366.5214 -2384.6635 921491.4634 -1366.5214 -2384.6635
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ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1277 21971.0408 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7412 -222072.9393 160.1637 -1580.1299 -2417.6041 921491.4634 -1580.1299 -2417.6041
ENERGY: 277 19149.2970 19724.7159 5695.5210 182.9396 -333864.3450 21997.2385 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6330 -222061.0987 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.1001 22041.3357 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5799 22096.4197 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.263, 0.470065/step Wall: 133.263, 0.470065/step, 0.0287262 hours remaining, 3223.632812 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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ENERGY: 282 20943.7899 19615.5380 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3371 -222526.2576 166.6927 -268349.5947 -222063.3314 166.6927 -2992.3273 -2779.3669 921491.4634 -2992.3273 -2779.3669
ENERGY: 283 20432.1062 19966.6616 5678.8137 187.1634 -336251.9201 22171.0647 0.0000 0.0000 45328.8520 -222487.2585 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3287 20789.9630 5707.3565 186.7145 -334827.1966 22167.0164 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8175 -222053.5966 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6308 20966.5623 5721.5031 185.8230 -334658.1148 22176.6862 0.0000 0.0000 43785.6883 -222425.2212 159.2803 -266210.9095 -222054.0582 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1189 20856.7824 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9439 -222485.6059 161.0892 -266768.5498 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9052 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 ============== 148.791
LDB: Largest compute 200 load 0.521313 is 1.1% of average load 45.696215
LDB: Average compute 0.064006 is 0.1% of average load 45.696215
LDB: TIME 148.793 LOAD: AVG 45.6962 MAX 47.085 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.99 MB
LDB: TIME 148.793 LOAD: AVG 45.6962 MAX 47.085 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.99 MB
LDB: TIME 148.809 LOAD: AVG 45.6962 MAX 46.2137 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.99 MB
LDB: ============== END OF LOAD BALANCING =============== 148.81
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.812
Info: Initial time: 4 CPUs 0.470516 s/step 5.44578 days/ns 3223.99 MB memory
TIMING: 300 CPU: 142.67, 0.470351/step Wall: 142.67, 0.470351/step, 0.0261306 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 151.881, 0.460565/step Wall: 151.881, 0.460565/step, 0.0230283 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.083, 0.46012/step Wall: 161.083, 0.46012/step, 0.0204498 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 170.279, 0.45979/step Wall: 170.279, 0.45979/step, 0.0178807 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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 20646.4609 20251.1595 5706.5521 182.3248 -335763.5807 22794.3775 0.0000 0.0000 43848.2756 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8099 20495.6597 5711.4639 183.2952 -336584.2285 22821.5839 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4159 -222044.3967 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.468, 0.459457/step Wall: 179.468, 0.459456/step, 0.0153152 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4113 19596.0353 5710.5349 179.0647 -336052.0489 22884.2537 0.0000 0.0000 45539.1833 -222517.5656 165.6590 -268056.7489 -222062.0924 165.6590 -569.2378 -2166.9356 921491.4634 -569.2378 -2166.9356
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ENERGY: 386 19981.2274 19220.9462 5707.6637 175.9384 -334865.1819 22880.7961 0.0000 0.0000 44519.8585 -222378.7514 161.9510 -266898.6099 -222051.0436 161.9510 122.6672 -2011.2426 921491.4634 122.6672 -2011.2426
ENERGY: 387 20367.2861 19202.4842 5710.9354 174.6759 -335109.8726 22905.2747 0.0000 0.0000 44377.1815 -222372.0348 161.4320 -266749.2162 -222053.0048 161.4320 -738.9582 -2019.1686 921491.4634 -738.9582 -2019.1686
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8116 20133.3595 5716.9814 176.0456 -336812.3387 23014.0590 0.0000 0.0000 45592.7324 -222486.3492 165.8538 -268079.0816 -222045.7218 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.803
LDB: Largest compute 230 load 0.521148 is 1.1% of average load 45.654537
LDB: Average compute 0.063935 is 0.1% of average load 45.654537
LDB: TIME 194.804 LOAD: AVG 45.6545 MAX 45.9908 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.99 MB
LDB: TIME 194.805 LOAD: AVG 45.6545 MAX 45.9908 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.99 MB
LDB: TIME 194.805 LOAD: AVG 45.6545 MAX 45.9908 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.99 MB
LDB: ============== END OF LOAD BALANCING =============== 194.806
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.807
Info: Benchmark time: 4 CPUs 0.459845 s/step 5.32227 days/ns 3223.99 MB memory
TIMING: 400 CPU: 188.658, 0.459496/step Wall: 188.658, 0.459496/step, 0.0127638 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0482 19835.9108 5715.8942 173.8391 -338107.6296 23109.6383 0.0000 0.0000 44436.8099 -222391.4891 161.6489 -266828.2990 -222049.2227 161.6489 -4939.3795 -2681.7024 921491.4634 -4939.3795 -2681.7024
ENERGY: 403 20784.9696 19778.4826 5715.7218 174.2695 -337239.9792 23077.8407 0.0000 0.0000 45225.5964 -222483.0985 164.5183 -267708.6950 -222046.6855 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
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ENERGY: 409 20350.1188 19376.4606 5688.4775 191.1593 -336896.6850 23057.9926 0.0000 0.0000 45733.6059 -222498.8703 166.3663 -268232.4762 -222051.6704 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
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: 415 19745.2669 20572.1261 5708.7452 198.1487 -336456.1978 23071.1994 0.0000 0.0000 44733.2275 -222427.4841 162.7272 -267160.7116 -222049.0343 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3171 20661.9899 5710.0857 195.6953 -336157.5869 23063.1717 0.0000 0.0000 44200.2852 -222384.0420 160.7885 -266584.3272 -222052.9643 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3212 5709.0494 192.4696 -336373.1082 23072.1100 0.0000 0.0000 44338.4622 -222398.3208 161.2911 -266736.7831 -222044.6992 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6648 20457.0912 5705.5847 188.6536 -336970.7874 23098.6727 0.0000 0.0000 44915.1426 -222450.9777 163.3889 -267366.1203 -222046.7092 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7632 20185.5526 5700.4810 184.6054 -337717.8762 23139.8024 0.0000 0.0000 45250.3103 -222466.3612 164.6082 -267716.6715 -222049.5949 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 197.823, 0.458244/step Wall: 197.823, 0.458244/step, 0.0101832 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5316 19595.2896 5707.1504 168.7509 -335498.4315 23074.5005 0.0000 0.0000 44915.2779 -222438.9305 163.3894 -267354.2085 -222048.7333 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4227 19760.4170 5710.4628 168.5259 -336199.9851 23087.7675 0.0000 0.0000 44884.2598 -222448.1294 163.2766 -267332.3892 -222058.0547 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9875 20024.3740 5712.1700 168.1897 -338096.9205 23149.4491 0.0000 0.0000 44626.3099 -222402.4404 162.3383 -267028.7503 -222047.3912 162.3383 -2472.2457 -2268.0466 921491.4634 -2472.2457 -2268.0466
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ENERGY: 432 21768.3705 20188.6728 5710.3547 168.1086 -338651.2101 23176.0844 0.0000 0.0000 45177.9910 -222461.6282 164.3451 -267639.6192 -222065.9055 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9072 20275.9668 5710.3763 168.4633 -338164.0637 23162.2909 0.0000 0.0000 45192.9284 -222453.1308 164.3995 -267646.0592 -222052.5979 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3414 20338.1504 5711.6061 169.3247 -337394.2703 23140.7734 0.0000 0.0000 44883.0996 -222420.9748 163.2724 -267304.0744 -222051.1459 163.2724 -2694.3108 -2227.7885 921491.4634 -2694.3108 -2227.7885
ENERGY: 435 20235.2202 20362.4020 5714.0003 170.8455 -336680.6553 23123.4096 0.0000 0.0000 44675.9836 -222398.7941 162.5189 -267074.7777 -222049.5885 162.5189 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9242 20349.9986 5717.2345 173.0864 -336303.8808 23119.9077 0.0000 0.0000 44847.0981 -222425.6314 163.1414 -267272.7294 -222059.6956 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5096 5720.9894 175.9827 -336411.9780 23136.3867 0.0000 0.0000 45159.2685 -222455.2897 164.2770 -267614.5582 -222050.7499 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1531 20278.6098 5724.6884 179.3849 -336899.4571 23173.5519 0.0000 0.0000 45148.1321 -222459.9370 164.2365 -267608.0691 -222051.5665 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
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TIMING: 440 CPU: 206.98, 0.457857/step Wall: 206.98, 0.457857/step, 0.00763094 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2372 5729.7527 186.7202 -338123.1802 23276.2486 0.0000 0.0000 44417.5454 -222405.1076 161.5788 -266822.6530 -222059.4770 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
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ENERGY: 442 21853.6117 19664.5346 5729.4854 192.9412 -338090.1528 23327.1568 0.0000 0.0000 44880.6319 -222441.7911 163.2634 -267322.4230 -222049.7753 163.2634 -2710.5574 -2229.0694 921491.4634 -2710.5574 -2229.0694
ENERGY: 443 21064.3315 19487.0719 5727.6164 194.9329 -337369.3145 23320.0158 0.0000 0.0000 45118.1106 -222457.2352 164.1273 -267575.3458 -222048.5994 164.1273 -2448.1647 -2220.3529 921491.4634 -2448.1647 -2220.3529
ENERGY: 444 20449.3365 19357.2687 5725.4095 195.8735 -336464.1922 23301.5277 0.0000 0.0000 44987.7175 -222447.0590 163.6530 -267434.7765 -222057.9799 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5610 19307.2515 5723.6513 195.6942 -335759.3915 23283.8139 0.0000 0.0000 44708.7153 -222414.7043 162.6380 -267123.4196 -222046.5430 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6806 19324.9004 5722.5430 194.3235 -335494.5711 23276.0452 0.0000 0.0000 44620.2944 -222408.7840 162.3164 -267029.0785 -222046.1622 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2848 19416.0210 5722.2107 191.8641 -335769.4405 23282.7459 0.0000 0.0000 44816.5089 -222425.8052 163.0301 -267242.3140 -222046.8344 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5921 19583.6802 5722.5764 188.5554 -336503.1806 23303.8905 0.0000 0.0000 45065.6675 -222451.2185 163.9365 -267516.8860 -222059.3480 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
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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 21754.4856 20108.1303 5724.4776 181.0897 -338419.3259 23364.6244 0.0000 0.0000 44854.3097 -222432.2086 163.1677 -267286.5183 -222048.7861 163.1677 -3116.6757 -2394.3897 921491.4634 -3116.6757 -2394.3897
ENERGY: 451 22355.5903 20357.7258 5724.7144 177.6516 -338952.0919 23381.8008 0.0000 0.0000 44542.6989 -222411.9100 162.0341 -266954.6090 -222048.8246 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2015 20536.0137 5723.8953 174.8859 -338927.1549 23378.0945 0.0000 0.0000 44452.9200 -222415.1440 161.7075 -266868.0640 -222059.6371 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8727 20641.1314 5722.2878 173.1350 -338392.7946 23354.5909 0.0000 0.0000 44683.7037 -222418.0731 162.5470 -267101.7768 -222043.5372 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3384 20654.1377 5720.2217 172.3637 -337567.1426 23320.6904 0.0000 0.0000 45008.1466 -222443.2442 163.7273 -267451.3909 -222041.8392 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7910 20584.7123 5718.4844 172.5169 -336790.6463 23290.4026 0.0000 0.0000 45086.5788 -222451.1604 164.0126 -267537.7391 -222040.8570 164.0126 -1151.8825 -2255.8572 921491.4634 -1151.8825 -2255.8572
ENERGY: 456 19493.3723 20440.6803 5717.7555 173.4248 -336350.1085 23274.9634 0.0000 0.0000 44811.4725 -222438.4395 163.0118 -267249.9120 -222055.3486 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8172 23277.8278 0.0000 0.0000 44521.8705 -222403.2003 161.9583 -266925.0708 -222049.4133 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8435 20019.2724 5720.7060 176.6081 -336835.0964 23294.7176 0.0000 0.0000 44632.7888 -222405.1600 162.3618 -267037.9487 -222051.2822 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
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TIMING: 460 CPU: 216.127, 0.457345/step Wall: 216.127, 0.457345/step, 0.00508161 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2255 19487.8105 5736.4822 180.9531 -337988.7166 23351.1091 0.0000 0.0000 44559.9290 -222408.2071 162.0968 -266968.1361 -222056.7211 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1792 19513.9012 5738.9361 181.1160 -337284.1024 23326.9482 0.0000 0.0000 44313.4568 -222388.5649 161.2002 -266702.0218 -222054.6239 161.2002 -2012.4423 -2264.0776 921491.4634 -2012.4423 -2264.0776
ENERGY: 464 20535.2462 19559.9269 5739.2518 181.0096 -336389.3838 23291.1947 0.0000 0.0000 44654.0263 -222428.7283 162.4391 -267082.7546 -222058.5728 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7828 19631.8852 5737.2898 180.7155 -335701.1532 23259.7397 0.0000 0.0000 45094.5684 -222474.1718 164.0416 -267568.7402 -222052.9386 164.0416 -512.3346 -2174.4006 921491.4634 -512.3346 -2174.4006
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7725 23245.0609 0.0000 0.0000 45020.7905 -222467.6205 163.7733 -267488.4109 -222052.9784 163.7733 -630.3313 -2182.6709 921491.4634 -630.3313 -2182.6709
ENERGY: 467 19841.8068 19783.1744 5727.6704 179.7757 -335721.0952 23249.4535 0.0000 0.0000 44523.6663 -222415.5481 161.9649 -266939.2144 -222054.3493 161.9649 -1393.6028 -2232.5922 921491.4634 -1393.6028 -2232.5922
ENERGY: 468 20761.8481 19845.4945 5721.5089 179.2779 -336451.5669 23265.8131 0.0000 0.0000 44291.6583 -222385.9661 161.1209 -266677.6244 -222056.3589 161.1209 -2508.6711 -2314.1338 921491.4634 -2508.6711 -2314.1338
ENERGY: 469 21236.3017 19910.2025 5715.6824 178.8504 -337458.3207 23284.3967 0.0000 0.0000 44720.3200 -222412.5671 162.6802 -267132.8871 -222046.0748 162.6802 -3596.7403 -2405.7970 921491.4634 -3596.7403 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8938 5710.9491 178.5947 -338383.2516 23297.0679 0.0000 0.0000 45346.4574 -222466.1155 164.9579 -267812.5728 -222047.6087 164.9579 -4259.6993 -2477.6829 921491.4634 -4259.6993 -2477.6829
ENERGY: 471 21732.8678 20054.6839 5707.9626 178.5890 -338913.2463 23297.5091 0.0000 0.0000 45471.3368 -222470.2969 165.4122 -267941.6337 -222047.5357 165.4122 -4290.5681 -2504.3173 921491.4634 -4290.5681 -2504.3173
ENERGY: 472 22081.2362 20161.5556 5707.0091 178.9047 -338870.6780 23279.4498 0.0000 0.0000 45028.5299 -222433.9928 163.8014 -267462.5227 -222059.5057 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1364 20289.3431 5707.9843 179.6165 -338307.7204 23240.7370 0.0000 0.0000 44634.5175 -222389.3857 162.3681 -267023.9032 -222043.8538 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9706 20372.0990 5710.2160 180.7466 -337438.4565 23189.2355 0.0000 0.0000 44733.2306 -222409.9580 162.7272 -267143.1886 -222041.2618 162.7272 -1295.5525 -2316.2727 921491.4634 -1295.5525 -2316.2727
ENERGY: 475 19674.2082 20371.7678 5712.9876 182.2512 -336604.2325 23142.3825 0.0000 0.0000 45070.2138 -222450.4215 163.9531 -267520.6352 -222039.4528 163.9531 -344.6448 -2232.2124 921491.4634 -344.6448 -2232.2124
ENERGY: 476 19235.7862 20282.0277 5715.7683 184.0125 -336100.0913 23115.8474 0.0000 0.0000 45106.0633 -222460.5858 164.0835 -267566.6491 -222053.6135 164.0835 -92.4047 -2183.0650 921491.4634 -92.4047 -2183.0650
ENERGY: 477 19704.7249 20145.9815 5718.4976 185.9230 -336101.8797 23114.2947 0.0000 0.0000 44812.3207 -222420.1372 163.0149 -267232.4579 -222044.8408 163.0149 -667.4943 -2171.8226 921491.4634 -667.4943 -2171.8226
ENERGY: 478 20493.4777 19974.7638 5721.0254 187.7262 -336537.4041 23131.2468 0.0000 0.0000 44627.0331 -222402.1312 162.3409 -267029.1642 -222047.4104 162.3409 -1807.1601 -2198.7954 921491.4634 -1807.1601 -2198.7954
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5841 23156.6779 0.0000 0.0000 44802.1575 -222425.5080 162.9779 -267227.6655 -222050.5457 162.9779 -3089.8512 -2246.7915 921491.4634 -3089.8512 -2246.7915
TIMING: 480 CPU: 225.263, 0.456789/step Wall: 225.263, 0.456789/step, 0.00253772 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1961 5725.3111 190.1900 -337854.6790 23181.5126 0.0000 0.0000 45051.6813 -222458.7551 163.8856 -267510.4364 -222064.6211 163.8856 -4077.7324 -2291.4890 921491.4634 -4077.7324 -2291.4890
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ENERGY: 482 22186.3468 19466.6789 5728.4964 190.3598 -338044.5422 23192.7482 0.0000 0.0000 44865.8520 -222414.0602 163.2096 -267279.9121 -222051.4114 163.2096 -4059.3097 -2278.0613 921491.4634 -4059.3097 -2278.0613
ENERGY: 483 21553.1416 19511.5740 5729.5660 189.3226 -337426.2189 23165.8747 0.0000 0.0000 44861.8967 -222414.8431 163.1953 -267276.7398 -222048.7673 163.1953 -2964.1722 -2216.4114 921491.4634 -2964.1722 -2216.4114
ENERGY: 484 20460.8930 19631.1935 5730.2465 187.5455 -336590.8885 23126.1358 0.0000 0.0000 45003.6028 -222451.2714 163.7107 -267454.8743 -222059.8739 163.7107 -1565.2424 -2143.1848 921491.4634 -1565.2424 -2143.1848
ENERGY: 485 19688.7723 19800.2989 5730.5256 185.2458 -335902.5867 23092.8477 0.0000 0.0000 44955.5722 -222449.3243 163.5360 -267404.8965 -222045.9603 163.5360 -422.1569 -2086.8734 921491.4634 -422.1569 -2086.8734
ENERGY: 486 19602.5428 19954.8175 5729.7198 182.4662 -335612.3569 23080.3813 0.0000 0.0000 44645.9115 -222416.5179 162.4096 -267062.4294 -222044.6758 162.4096 87.3181 -2070.0981 921491.4634 87.3181 -2070.0981
ENERGY: 487 19881.0925 20072.0213 5727.4347 179.4360 -335846.4484 23091.0550 0.0000 0.0000 44503.3492 -222392.0597 161.8910 -266895.4089 -222045.2404 161.8910 -192.2345 -2106.8839 921491.4634 -192.2345 -2106.8839
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5457 23118.8622 0.0000 0.0000 44827.0555 -222425.3040 163.0685 -267252.3595 -222057.1937 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8873 20236.4610 5718.5749 173.8639 -337540.4661 23156.7315 0.0000 0.0000 45266.1003 -222461.8472 164.6656 -267727.9475 -222045.6085 164.6656 -2511.2403 -2316.7067 921491.4634 -2511.2403 -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 21410.7491 20292.9024 5712.8912 171.8438 -338458.1369 23196.4882 0.0000 0.0000 45213.5629 -222459.6993 164.4745 -267673.2622 -222048.2207 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4641 20312.1363 5707.3795 170.5404 -338984.5803 23226.0942 0.0000 0.0000 44733.0091 -222404.9568 162.7264 -267137.9658 -222049.4637 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9548 20289.6814 5702.9944 170.0207 -338937.5826 23232.7210 0.0000 0.0000 44542.1952 -222387.0150 162.0323 -266929.2102 -222060.3859 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2190 20260.7379 5700.7779 170.3200 -338358.0644 23214.0541 0.0000 0.0000 45033.8230 -222420.1325 163.8207 -267453.9555 -222046.5900 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3369 20225.0266 5700.9805 171.2193 -337454.3845 23183.0799 0.0000 0.0000 45622.2474 -222483.4939 165.9612 -268105.7413 -222044.0867 165.9612 -2500.8994 -2482.1068 921491.4634 -2500.8994 -2482.1068
ENERGY: 495 19383.2465 20186.8306 5703.5926 172.5416 -336566.9895 23159.4628 0.0000 0.0000 45484.1230 -222477.1925 165.4587 -267961.3155 -222041.5563 165.4587 -1249.6838 -2407.3056 921491.4634 -1249.6838 -2407.3056
ENERGY: 496 19722.4834 20130.6477 5708.0350 174.0933 -335998.7161 23154.2638 0.0000 0.0000 44699.5270 -222409.6658 162.6046 -267109.1929 -222049.0669 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6667 20059.9179 5713.4613 175.7242 -335952.5046 23166.3548 0.0000 0.0000 44261.0289 -222363.3509 161.0095 -266624.3798 -222042.7499 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0165 19957.1216 5718.5596 177.2604 -336366.4935 23189.3587 0.0000 0.0000 44728.2535 -222413.9232 162.7091 -267142.1767 -222044.5218 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0680 19847.7306 5722.4089 178.6361 -337058.4825 23219.2406 0.0000 0.0000 45439.2645 -222493.1338 165.2956 -267932.3983 -222047.2061 165.2956 -2020.8686 -2376.3390 921491.4634 -2020.8686 -2376.3390
Info: Benchmark time: 4 CPUs 0.456668 s/step 5.28551 days/ns 3223.99 MB memory
TIMING: 500 CPU: 234.325, 0.453114/step Wall: 234.325, 0.453114/step, 0 hours remaining, 3223.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8939 19756.6579 5724.4523 179.8271 -337741.4190 23251.1011 0.0000 0.0000 45359.0780 -222495.4088 165.0039 -267854.4867 -222061.0906 165.0039 -3197.5166 -2425.4140 921491.4634 -3197.5166 -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, 3229.281 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.281 MB of memory in use
====================================================
WallClock: 241.360718 CPUTime: 241.360718 Memory: 3229.281250 MB
[Partition 0][Node 0] End of program
Application 109916039 resources: utime ~948s, stime ~19s, Rss ~126728, inblocks ~67010, outblocks ~72238
Displaying status file:
verified
WALL=241.360718
CPU=241.360718
MEM=3229.281250
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins12001315559887132770.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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