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 ============== 54.1611
LDB: Largest compute 200 load 0.428862 is 1.2% of average load 36.775835
LDB: Average compute 0.051520 is 0.1% of average load 36.775835
LDB: Partitioning computes with target load 3.677583
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055619
LDB: ============== END OF LOAD BALANCING =============== 54.1633
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1641
Info: Initial time: 4 CPUs 0.472737 s/step 5.4715 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.2468, 0.471852/step Wall: 48.2468, 0.471852/step, 0.052428 hours remaining, 3221.570312 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 ============== 63.5801
LDB: ============== END OF LOAD BALANCING =============== 63.5802
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5806
TIMING: 120 CPU: 57.6611, 0.470714/step Wall: 57.6611, 0.470714/step, 0.0496864 hours remaining, 3221.738281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.0726, 0.470576/step Wall: 67.0726, 0.470576/step, 0.0470576 hours remaining, 3221.945312 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: 76.4707, 0.469904/step Wall: 76.4707, 0.469904/step, 0.0443799 hours remaining, 3222.156250 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: 161 21561.6002 18685.5959 5704.9782 178.2042 -333710.7598 20865.7133 0.0000 0.0000 44220.7113 -222493.9567 160.8628 -266714.6680 -222160.9739 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6068 -222342.9105 156.6790 -265413.5173 -222161.4907 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8656 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0506 156.4429 -265314.7468 -222160.7802 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6888 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3352 -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 19195.1037 18891.7630 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5398 -222127.3369 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2625 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7901 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 85.8566, 0.469293/step Wall: 85.8566, 0.469293/step, 0.0417149 hours remaining, 3222.156250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9569 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5888 -222435.3691 161.4844 -266826.9579 -222129.2887 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0801 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0062 18800.3005 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.168
LDB: Largest compute 200 load 0.423432 is 1.2% of average load 36.598707
LDB: Average compute 0.051264 is 0.1% of average load 36.598707
LDB: TIME 101.17 LOAD: AVG 36.5987 MAX 37.587 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.172 LOAD: AVG 36.5987 MAX 37.4724 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.174
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.177
Info: Initial time: 4 CPUs 0.469976 s/step 5.43953 days/ns 3223.77 MB memory
TIMING: 200 CPU: 95.2542, 0.469882/step Wall: 95.2542, 0.469882/step, 0.0391569 hours remaining, 3223.773438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6348 5711.8747 190.0258 -334670.2812 21209.9248 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 23380.1031 18674.3331 5716.2802 191.4189 -334751.7131 21239.1341 0.0000 0.0000 43222.4696 -222327.9742 157.2315 -265550.4438 -222100.1078 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8448 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8946 19130.0388 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4720 -222628.9811 165.9875 -268258.4531 -222116.7003 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0790 19868.9413 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7150 -222526.2119 162.5725 -267216.9268 -222099.8062 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
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ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9793 21289.9001 0.0000 0.0000 42143.6914 -222226.4461 153.3072 -264370.1375 -222103.0934 153.3072 -1896.3479 -2585.9684 921491.4634 -1896.3479 -2585.9684
ENERGY: 208 20293.2704 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6270 -222472.1864 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0060 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6800 -222642.3814 168.3309 -268916.0615 -222106.7899 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 20194.2570 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8633 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8223 5710.0295 176.0352 -336013.6229 21412.5983 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6445 21380.5552 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2253 -222097.3836 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5664 -222091.0449 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6749 -222225.0682 152.7251 -264208.7431 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9159 19540.0890 5761.2415 184.9927 -333856.1146 21546.6561 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2195 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.664, 0.470492/step Wall: 104.664, 0.470492/step, 0.0365938 hours remaining, 3223.773438 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: 114.066, 0.470115/step Wall: 114.066, 0.470115/step, 0.0339528 hours remaining, 3223.773438 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: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3935 5737.4544 169.6534 -334482.6008 21720.5676 0.0000 0.0000 45629.1661 -222554.1194 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7296 -2573.2149 921491.4634 -2667.7296 -2573.2149
ENERGY: 245 20148.2367 19811.7600 5725.7785 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6899 -2533.5454 921491.4634 -1771.6899 -2533.5454
ENERGY: 246 20878.5480 19853.7026 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5287 19979.6442 5712.7400 177.5412 -334802.1844 21719.8454 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4298 5713.8450 181.3144 -335623.1356 21746.4311 0.0000 0.0000 46185.9361 -222595.6865 168.0117 -268781.6226 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3719 -222425.8457 159.7157 -266331.2176 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0190 -222581.3413 165.5893 -268101.3603 -222082.7206 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
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ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9230 21746.1515 0.0000 0.0000 43667.4211 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5969 21757.6848 0.0000 0.0000 43181.1611 -222297.2437 157.0812 -265478.4048 -222071.2739 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5654 18878.1872 5681.1759 194.7976 -333481.0037 21780.2419 0.0000 0.0000 44488.5468 -222428.4890 161.8371 -266917.0357 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5869 18882.0664 5673.2911 193.6684 -334373.1544 21817.5078 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.461, 0.469706/step Wall: 123.461, 0.469706/step, 0.0313138 hours remaining, 3224.078125 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: 264 19385.2259 20436.4307 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1925 -2723.5294 921491.4634 -2191.1925 -2723.5294
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ENERGY: 267 19648.0906 20691.2680 5707.0583 187.8501 -334831.4859 21930.8375 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7454 21959.1258 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -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
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7074 -222503.3110 165.9083 -268111.0184 -222081.1572 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7010 21985.5297 0.0000 0.0000 45502.7159 -222499.9695 165.5264 -268002.6854 -222069.0459 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8501 19594.7506 5701.2546 182.4904 -333292.1278 21971.0411 0.0000 0.0000 44028.5269 -222412.2140 160.1637 -266440.7409 -222072.9395 160.1637 -1580.1298 -2417.6039 921491.4634 -1580.1298 -2417.6039
ENERGY: 277 19149.2972 19724.7157 5695.5210 182.9396 -333864.3451 21997.2388 0.0000 0.0000 44632.8109 -222481.8217 162.3619 -267114.6327 -222061.0988 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4577 19713.7757 5686.9122 183.6585 -334821.1002 22041.3361 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8156 -2593.7695 921491.4634 -3254.8156 -2593.7695
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TIMING: 280 CPU: 132.839, 0.468936/step Wall: 132.839, 0.468936/step, 0.0286572 hours remaining, 3224.078125 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 19396.6309 20966.5624 5721.5032 185.8230 -334658.1150 22176.6865 0.0000 0.0000 43785.6880 -222425.2212 159.2803 -266210.9092 -222054.0582 159.2803 -1306.7500 -2717.2847 921491.4634 -1306.7500 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1482 22200.2912 0.0000 0.0000 44282.9436 -222485.6059 161.0892 -266768.5495 -222055.7253 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9558 182.7335 -335468.3152 22237.9039 0.0000 0.0000 44116.9903 -222455.2376 160.4855 -266572.2280 -222066.9054 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -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 ============== 148.152
LDB: Largest compute 200 load 0.521069 is 1.1% of average load 45.702741
LDB: Average compute 0.064026 is 0.1% of average load 45.702741
LDB: TIME 148.154 LOAD: AVG 45.7027 MAX 46.9753 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 148.155 LOAD: AVG 45.7027 MAX 46.9753 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 148.16 LOAD: AVG 45.7027 MAX 46.2205 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 148.16
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.161
Info: Initial time: 4 CPUs 0.46948 s/step 5.43379 days/ns 3224.28 MB memory
TIMING: 300 CPU: 142.212, 0.468632/step Wall: 142.212, 0.468632/step, 0.0260351 hours remaining, 3224.277344 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: 151.429, 0.460856/step Wall: 151.429, 0.460856/step, 0.0230428 hours remaining, 3224.277344 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: 160.64, 0.460566/step Wall: 160.64, 0.460566/step, 0.0204696 hours remaining, 3224.277344 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: 169.844, 0.460205/step Wall: 169.844, 0.460205/step, 0.0178968 hours remaining, 3224.277344 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: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.1995 22790.5189 0.0000 0.0000 46034.3489 -222532.9311 167.4603 -268567.2801 -222068.5917 167.4603 -1420.0424 -2476.3757 921491.4634 -1420.0424 -2476.3757
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ENERGY: 368 20561.5939 19748.2117 5739.6691 179.8275 -335728.0873 22808.6648 0.0000 0.0000 44272.8407 -222417.2796 161.0524 -266690.1204 -222068.2915 161.0524 -2928.4889 -2487.3072 921491.4634 -2928.4889 -2487.3072
ENERGY: 369 20346.9681 19812.6203 5741.6369 179.5048 -336580.3307 22825.3354 0.0000 0.0000 45155.6308 -222518.6344 164.2638 -267674.2651 -222061.1005 164.2638 -3666.9894 -2542.4576 921491.4634 -3666.9894 -2542.4576
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: 376 19884.0271 19962.1764 5703.2010 181.1433 -335321.8624 22772.8695 0.0000 0.0000 44434.3275 -222384.1176 161.6399 -266818.4451 -222050.5530 161.6399 -874.6222 -2439.6904 921491.4634 -874.6222 -2439.6904
ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3249 -335763.5794 22794.3768 0.0000 0.0000 43848.2754 -222334.4303 159.5080 -266182.7056 -222041.4013 159.5080 -1819.5858 -2472.4988 921491.4634 -1819.5858 -2472.4988
ENERGY: 378 20473.8101 20495.6594 5711.4639 183.2952 -336584.2272 22821.5831 0.0000 0.0000 44474.7534 -222423.6621 161.7869 -266898.4155 -222044.3967 161.7869 -2972.9875 -2523.3501 921491.4634 -2972.9875 -2523.3501
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TIMING: 380 CPU: 179.044, 0.460002/step Wall: 179.044, 0.460002/step, 0.0153334 hours remaining, 3224.277344 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 19625.4115 19596.0353 5710.5349 179.0647 -336052.0481 22884.2527 0.0000 0.0000 45539.1828 -222517.5660 165.6590 -268056.7488 -222062.0928 165.6590 -569.2381 -2166.9360 921491.4634 -569.2381 -2166.9360
ENERGY: 385 19327.8181 19356.8911 5707.7751 177.4354 -335210.6394 22871.6137 0.0000 0.0000 45299.7168 -222469.3892 164.7879 -267769.1060 -222051.0996 164.7879 215.3514 -2064.3638 921491.4634 215.3514 -2064.3638
ENERGY: 386 19981.2271 19220.9463 5707.6638 175.9384 -334865.1809 22880.7951 0.0000 0.0000 44519.8585 -222378.7518 161.9510 -266898.6103 -222051.0440 161.9510 122.6669 -2011.2430 921491.4634 122.6669 -2011.2430
ENERGY: 387 20367.2859 19202.4842 5710.9354 174.6759 -335109.8717 22905.2737 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2166 -222053.0052 161.4320 -738.9586 -2019.1691 921491.4634 -738.9586 -2019.1691
ENERGY: 388 20282.3988 19280.0165 5717.2934 173.7038 -335824.1507 22938.2893 0.0000 0.0000 44972.7758 -222459.6730 163.5986 -267432.4488 -222067.4817 163.5986 -2063.8555 -2076.2822 921491.4634 -2063.8555 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7783 20200.7710 5721.4919 176.2273 -336102.8168 22990.0369 0.0000 0.0000 44712.8672 -222394.6441 162.6531 -267107.5113 -222042.6599 162.6531 -376.0862 -2327.2103 921491.4634 -376.0862 -2327.2103
ENERGY: 398 19692.8117 20133.3592 5716.9814 176.0456 -336812.3372 23014.0580 0.0000 0.0000 45592.7318 -222486.3496 165.8538 -268079.0814 -222045.7222 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.198
LDB: Largest compute 230 load 0.519684 is 1.1% of average load 45.637306
LDB: Average compute 0.063910 is 0.1% of average load 45.637306
LDB: TIME 194.199 LOAD: AVG 45.6373 MAX 46.0361 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 194.2 LOAD: AVG 45.6373 MAX 46.0361 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 194.2 LOAD: AVG 45.6373 MAX 46.0361 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 194.201
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.201
Info: Benchmark time: 4 CPUs 0.460301 s/step 5.32756 days/ns 3224.28 MB memory
TIMING: 400 CPU: 188.246, 0.460078/step Wall: 188.246, 0.460078/step, 0.0127799 hours remaining, 3224.277344 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 22444.0481 19835.9109 5715.8942 173.8391 -338107.6282 23109.6375 0.0000 0.0000 44436.8093 -222391.4891 161.6489 -266828.2984 -222049.2227 161.6489 -4939.3797 -2681.7026 921491.4634 -4939.3797 -2681.7026
ENERGY: 403 20784.9697 19778.4828 5715.7218 174.2695 -337239.9778 23077.8399 0.0000 0.0000 45225.5956 -222483.0985 164.5183 -267708.6941 -222046.6855 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
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ENERGY: 408 19735.8471 19387.6641 5692.2152 187.5226 -335902.8210 23017.8172 0.0000 0.0000 45394.4115 -222487.3432 165.1324 -267881.7548 -222063.5312 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1189 19376.4605 5688.4775 191.1593 -336896.6839 23057.9921 0.0000 0.0000 45733.6052 -222498.8704 166.3663 -268232.4756 -222051.6705 166.3663 -2367.4921 -2346.9325 921491.4634 -2367.4921 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1419 20138.5249 5699.9334 199.7191 -337872.5315 23125.1115 0.0000 0.0000 45113.2136 -222465.8870 164.1095 -267579.1006 -222055.3454 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3857 20381.5507 5705.1135 199.5118 -337122.7794 23094.4557 0.0000 0.0000 45271.6523 -222483.1098 164.6858 -267754.7621 -222052.1624 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1970 23071.1990 0.0000 0.0000 44733.2272 -222427.4845 162.7272 -267160.7117 -222049.0347 162.7272 -1174.6451 -2266.5616 921491.4634 -1174.6451 -2266.5616
ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6954 -336157.5860 23063.1713 0.0000 0.0000 44200.2849 -222384.0423 160.7885 -266584.3272 -222052.9646 160.7885 -282.7613 -2224.6898 921491.4634 -282.7613 -2224.6898
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1075 23072.1097 0.0000 0.0000 44338.4617 -222398.3211 161.2911 -266736.7829 -222044.6995 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6650 20457.0911 5705.5847 188.6537 -336970.7868 23098.6724 0.0000 0.0000 44915.1420 -222450.9780 163.3889 -267366.1200 -222046.7095 163.3889 -671.8548 -2269.9922 921491.4634 -671.8548 -2269.9922
ENERGY: 419 20790.7633 20185.5526 5700.4811 184.6055 -337717.8758 23139.8021 0.0000 0.0000 45250.3099 -222466.3615 164.6082 -267716.6714 -222049.5952 164.6082 -1783.9424 -2336.6466 921491.4634 -1783.9424 -2336.6466
TIMING: 420 CPU: 197.418, 0.458617/step Wall: 197.418, 0.458617/step, 0.0101915 hours remaining, 3224.277344 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: 428 20140.4230 19760.4170 5710.4629 168.5259 -336199.9853 23087.7671 0.0000 0.0000 44884.2597 -222448.1298 163.2766 -267332.3895 -222058.0551 163.2766 -935.5735 -2206.9586 921491.4634 -935.5735 -2206.9586
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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: 432 21768.3706 20188.6725 5710.3547 168.1086 -338651.2101 23176.0839 0.0000 0.0000 45177.9913 -222461.6287 164.3451 -267639.6199 -222065.9060 164.3451 -3350.2743 -2296.1499 921491.4634 -3350.2743 -2296.1499
ENERGY: 433 21200.9073 20275.9663 5710.3763 168.4633 -338164.0636 23162.2903 0.0000 0.0000 45192.9288 -222453.1312 164.3995 -267646.0600 -222052.5983 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3412 20338.1499 5711.6061 169.3247 -337394.2702 23140.7728 0.0000 0.0000 44883.1003 -222420.9753 163.2724 -267304.0756 -222051.1463 163.2724 -2694.3107 -2227.7886 921491.4634 -2694.3107 -2227.7886
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6553 23123.4090 0.0000 0.0000 44675.9845 -222398.7946 162.5190 -267074.7790 -222049.5890 162.5190 -2061.3582 -2179.8953 921491.4634 -2061.3582 -2179.8953
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ENERGY: 437 19434.5518 20329.5093 5720.9894 175.9827 -336411.9782 23136.3861 0.0000 0.0000 45159.2688 -222455.2902 164.2770 -267614.5590 -222050.7504 164.2770 -1319.1171 -2134.4850 921491.4634 -1319.1171 -2134.4850
ENERGY: 438 19935.1534 20278.6097 5724.6884 179.3848 -336899.4574 23173.5512 0.0000 0.0000 45148.1325 -222459.9375 164.2365 -267608.0699 -222051.5669 164.2365 -1493.0944 -2145.0882 921491.4634 -1493.0944 -2145.0882
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TIMING: 440 CPU: 206.585, 0.458324/step Wall: 206.585, 0.458324/step, 0.00763873 hours remaining, 3224.277344 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 22071.5684 20036.2372 5729.7527 186.7201 -338123.1801 23276.2479 0.0000 0.0000 44417.5461 -222405.1077 161.5788 -266822.6538 -222059.4771 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5487 19860.0409 5730.3488 190.1145 -338361.1709 23313.2038 0.0000 0.0000 44502.6965 -222409.2177 161.8886 -266911.9142 -222050.0858 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6119 19664.5348 5729.4854 192.9411 -338090.1527 23327.1562 0.0000 0.0000 44880.6321 -222441.7911 163.2634 -267322.4232 -222049.7753 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3316 19487.0720 5727.6164 194.9329 -337369.3143 23320.0152 0.0000 0.0000 45118.1110 -222457.2352 164.1273 -267575.3462 -222048.5994 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3362 19357.2687 5725.4095 195.8735 -336464.1922 23301.5271 0.0000 0.0000 44987.7181 -222447.0593 163.6530 -267434.7774 -222057.9802 163.6530 -2090.2101 -2206.4402 921491.4634 -2090.2101 -2206.4402
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ENERGY: 446 19947.6807 19324.9003 5722.5430 194.3235 -335494.5712 23276.0447 0.0000 0.0000 44620.2947 -222408.7843 162.3164 -267029.0790 -222046.1625 162.3164 -1800.7521 -2216.7296 921491.4634 -1800.7521 -2216.7296
ENERGY: 447 19914.2852 19416.0208 5722.2107 191.8641 -335769.4405 23282.7454 0.0000 0.0000 44816.5088 -222425.8054 163.0301 -267242.3142 -222046.8347 163.0301 -1993.3116 -2253.0606 921491.4634 -1993.3116 -2253.0606
ENERGY: 448 20187.5924 19583.6799 5722.5764 188.5554 -336503.1805 23303.8901 0.0000 0.0000 45065.6676 -222451.2187 163.9365 -267516.8862 -222059.3482 163.9365 -2372.1882 -2303.7901 921491.4634 -2372.1882 -2303.7901
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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 21754.4854 20108.1300 5724.4776 181.0898 -338419.3256 23364.6241 0.0000 0.0000 44854.3100 -222432.2088 163.1677 -267286.5187 -222048.7862 163.1677 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5904 20357.7255 5724.7144 177.6517 -338952.0915 23381.8006 0.0000 0.0000 44542.6989 -222411.9101 162.0341 -266954.6090 -222048.8247 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2017 20536.0134 5723.8953 174.8859 -338927.1547 23378.0943 0.0000 0.0000 44452.9198 -222415.1443 161.7075 -266868.0641 -222059.6374 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8726 20641.1310 5722.2878 173.1350 -338392.7944 23354.5908 0.0000 0.0000 44683.7037 -222418.0734 162.5470 -267101.7771 -222043.5375 162.5470 -2048.3339 -2342.4670 921491.4634 -2048.3339 -2342.4670
ENERGY: 454 20248.3380 20654.1374 5720.2217 172.3637 -337567.1424 23320.6902 0.0000 0.0000 45008.1469 -222443.2445 163.7273 -267451.3914 -222041.8395 163.7273 -1453.4579 -2293.1452 921491.4634 -1453.4579 -2293.1452
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6462 23290.4024 0.0000 0.0000 45086.5790 -222451.1607 164.0126 -267537.7396 -222040.8574 164.0126 -1151.8825 -2255.8574 921491.4634 -1151.8825 -2255.8574
ENERGY: 456 19493.3724 20440.6801 5717.7556 173.4248 -336350.1085 23274.9633 0.0000 0.0000 44811.4723 -222438.4400 163.0118 -267249.9123 -222055.3490 163.0118 -1305.5006 -2245.5825 921491.4634 -1305.5006 -2245.5825
ENERGY: 457 20047.4931 20251.9436 5718.5580 174.9241 -336395.8173 23277.8276 0.0000 0.0000 44521.8702 -222403.2007 161.9583 -266925.0708 -222049.4137 161.9583 -1906.4168 -2263.5015 921491.4634 -1906.4168 -2263.5015
ENERGY: 458 20585.8436 20019.2723 5720.7061 176.6081 -336835.0966 23294.7174 0.0000 0.0000 44632.7887 -222405.1604 162.3618 -267037.9491 -222051.2827 162.3618 -2684.6991 -2301.0429 921491.4634 -2684.6991 -2301.0429
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TIMING: 460 CPU: 215.736, 0.457561/step Wall: 215.736, 0.457561/step, 0.00508401 hours remaining, 3224.277344 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 21262.6140 19597.9061 5728.0971 179.4910 -338014.3766 23341.8003 0.0000 0.0000 45423.8564 -222480.6117 165.2395 -267904.4681 -222064.6836 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
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ENERGY: 462 22264.2256 19487.8105 5736.4822 180.9531 -337988.7165 23351.1087 0.0000 0.0000 44559.9289 -222408.2075 162.0968 -266968.1363 -222056.7214 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1790 19513.9012 5738.9361 181.1160 -337284.1022 23326.9478 0.0000 0.0000 44313.4569 -222388.5653 161.2002 -266702.0221 -222054.6242 161.2002 -2012.4422 -2264.0778 921491.4634 -2012.4422 -2264.0778
ENERGY: 464 20535.2458 19559.9270 5739.2518 181.0096 -336389.3834 23291.1942 0.0000 0.0000 44654.0264 -222428.7286 162.4391 -267082.7550 -222058.5730 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7827 19631.8853 5737.2898 180.7155 -335701.1527 23259.7391 0.0000 0.0000 45094.5682 -222474.1721 164.0416 -267568.7403 -222052.9389 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7720 23245.0603 0.0000 0.0000 45020.7901 -222467.6207 163.7733 -267488.4108 -222052.9786 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8072 19783.1743 5727.6704 179.7757 -335721.0946 23249.4529 0.0000 0.0000 44523.6659 -222415.5483 161.9649 -266939.2142 -222054.3496 161.9649 -1393.6031 -2232.5924 921491.4634 -1393.6031 -2232.5924
ENERGY: 468 20761.8483 19845.4942 5721.5089 179.2779 -336451.5664 23265.8124 0.0000 0.0000 44291.6581 -222385.9665 161.1209 -266677.6246 -222056.3593 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3200 23284.3960 0.0000 0.0000 44720.3201 -222412.5675 162.6802 -267132.8875 -222046.0752 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8933 5710.9491 178.5947 -338383.2506 23297.0671 0.0000 0.0000 45346.4573 -222466.1158 164.9579 -267812.5732 -222047.6091 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8680 20054.6833 5707.9626 178.5890 -338913.2450 23297.5083 0.0000 0.0000 45471.3365 -222470.2972 165.4122 -267941.6338 -222047.5361 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2362 20161.5550 5707.0091 178.9047 -338870.6763 23279.4489 0.0000 0.0000 45028.5296 -222433.9929 163.8014 -267462.5225 -222059.5058 163.8014 -3659.7360 -2479.9185 921491.4634 -3659.7360 -2479.9185
ENERGY: 473 21866.1362 20289.3425 5707.9843 179.6165 -338307.7187 23240.7361 0.0000 0.0000 44634.5173 -222389.3858 162.3681 -267023.9032 -222043.8539 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9704 20372.0986 5710.2160 180.7466 -337438.4549 23189.2346 0.0000 0.0000 44733.2305 -222409.9581 162.7272 -267143.1886 -222041.2619 162.7272 -1295.5524 -2316.2729 921491.4634 -1295.5524 -2316.2729
ENERGY: 475 19674.2082 20371.7674 5712.9876 182.2512 -336604.2310 23142.3815 0.0000 0.0000 45070.2136 -222450.4215 163.9530 -267520.6351 -222039.4529 163.9530 -344.6450 -2232.2127 921491.4634 -344.6450 -2232.2127
ENERGY: 476 19235.7865 20282.0274 5715.7683 184.0125 -336100.0900 23115.8464 0.0000 0.0000 45106.0630 -222460.5859 164.0835 -267566.6490 -222053.6136 164.0835 -92.4051 -2183.0653 921491.4634 -92.4051 -2183.0653
ENERGY: 477 19704.7252 20145.9812 5718.4976 185.9230 -336101.8787 23114.2936 0.0000 0.0000 44812.3208 -222420.1373 163.0149 -267232.4580 -222044.8410 163.0149 -667.4948 -2171.8229 921491.4634 -667.4948 -2171.8229
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4033 23131.2457 0.0000 0.0000 44627.0335 -222402.1313 162.3409 -267029.1648 -222047.4105 162.3409 -1807.1606 -2198.7957 921491.4634 -1807.1606 -2198.7957
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2099 -337215.5834 23156.6768 0.0000 0.0000 44802.1581 -222425.5081 162.9779 -267227.6662 -222050.5458 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 224.885, 0.457446/step Wall: 224.885, 0.457446/step, 0.00254136 hours remaining, 3224.277344 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 19623.1961 5725.3111 190.1900 -337854.6782 23181.5113 0.0000 0.0000 45051.6817 -222458.7551 163.8856 -267510.4368 -222064.6210 163.8856 -4077.7329 -2291.4894 921491.4634 -4077.7329 -2291.4894
ENERGY: 481 22092.4856 19510.0431 5727.0952 190.6351 -338199.2477 23196.7954 0.0000 0.0000 45041.3370 -222440.8564 163.8480 -267482.1933 -222052.5266 163.8480 -4466.2396 -2305.6735 921491.4634 -4466.2396 -2305.6735
ENERGY: 482 22186.3469 19466.6793 5728.4963 190.3598 -338044.5414 23192.7468 0.0000 0.0000 44865.8522 -222414.0601 163.2096 -267279.9123 -222051.4113 163.2096 -4059.3100 -2278.0618 921491.4634 -4059.3100 -2278.0618
ENERGY: 483 21553.1413 19511.5746 5729.5660 189.3227 -337426.2181 23165.8734 0.0000 0.0000 44861.8971 -222414.8430 163.1953 -267276.7402 -222048.7673 163.1953 -2964.1725 -2216.4119 921491.4634 -2964.1725 -2216.4119
ENERGY: 484 20460.8927 19631.1941 5730.2465 187.5455 -336590.8876 23126.1345 0.0000 0.0000 45003.6032 -222451.2713 163.7107 -267454.8745 -222059.8738 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7723 19800.2993 5730.5256 185.2458 -335902.5858 23092.8463 0.0000 0.0000 44955.5724 -222449.3241 163.5360 -267404.8965 -222045.9601 163.5360 -422.1571 -2086.8738 921491.4634 -422.1571 -2086.8738
ENERGY: 486 19602.5430 19954.8177 5729.7197 182.4662 -335612.3560 23080.3800 0.0000 0.0000 44645.9116 -222416.5177 162.4096 -267062.4293 -222044.6756 162.4096 87.3178 -2070.0984 921491.4634 87.3178 -2070.0984
ENERGY: 487 19881.0927 20072.0213 5727.4347 179.4360 -335846.4474 23091.0536 0.0000 0.0000 44503.3495 -222392.0595 161.8910 -266895.4090 -222045.2402 161.8910 -192.2349 -2106.8843 921491.4634 -192.2349 -2106.8843
ENERGY: 488 20125.2099 20156.1361 5723.5441 176.4338 -336552.5446 23118.8608 0.0000 0.0000 44827.0560 -222425.3039 163.0685 -267252.3599 -222057.1936 163.0685 -1145.7536 -2194.6682 921491.4634 -1145.7536 -2194.6682
ENERGY: 489 20526.8872 20236.4608 5718.5748 173.8639 -337540.4648 23156.7302 0.0000 0.0000 45266.1007 -222461.8470 164.6656 -267727.9478 -222045.6083 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9022 5712.8912 171.8438 -338458.1353 23196.4869 0.0000 0.0000 45213.5631 -222459.6991 164.4745 -267673.2621 -222048.2205 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4641 20312.1362 5707.3795 170.5404 -338984.5785 23226.0928 0.0000 0.0000 44733.0090 -222404.9566 162.7264 -267137.9655 -222049.4635 162.7264 -4629.6936 -2524.6217 921491.4634 -4629.6936 -2524.6217
ENERGY: 492 22612.9547 20289.6814 5702.9944 170.0208 -338937.5810 23232.7196 0.0000 0.0000 44542.1951 -222387.0151 162.0323 -266929.2101 -222060.3860 162.0323 -4606.8526 -2557.4732 921491.4634 -4606.8526 -2557.4732
ENERGY: 493 21558.2187 20260.7378 5700.7779 170.3200 -338358.0627 23214.0527 0.0000 0.0000 45033.8229 -222420.1326 163.8207 -267453.9555 -222046.5901 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3367 20225.0265 5700.9805 171.2193 -337454.3828 23183.0786 0.0000 0.0000 45622.2473 -222483.4939 165.9612 -268105.7413 -222044.0867 165.9612 -2500.8995 -2482.1071 921491.4634 -2500.8995 -2482.1071
ENERGY: 495 19383.2465 20186.8303 5703.5926 172.5416 -336566.9879 23159.4616 0.0000 0.0000 45484.1229 -222477.1925 165.4587 -267961.3154 -222041.5563 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4835 20130.6473 5708.0350 174.0933 -335998.7148 23154.2626 0.0000 0.0000 44699.5270 -222409.6660 162.6046 -267109.1930 -222049.0670 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5034 23166.3536 0.0000 0.0000 44261.0291 -222363.3511 161.0095 -266624.3802 -222042.7501 161.0095 -421.0235 -2316.7931 921491.4634 -421.0235 -2316.7931
ENERGY: 498 20182.0163 19957.1214 5718.5596 177.2604 -336366.4925 23189.3576 0.0000 0.0000 44728.2538 -222413.9234 162.7091 -267142.1772 -222044.5220 162.7091 -993.4681 -2331.6475 921491.4634 -993.4681 -2331.6475
ENERGY: 499 20158.0678 19847.7307 5722.4089 178.6361 -337058.4817 23219.2395 0.0000 0.0000 45439.2647 -222493.1340 165.2956 -267932.3987 -222047.2063 165.2956 -2020.8690 -2376.3393 921491.4634 -2020.8690 -2376.3393
Info: Benchmark time: 4 CPUs 0.457126 s/step 5.29081 days/ns 3224.28 MB memory
TIMING: 500 CPU: 233.959, 0.453691/step Wall: 233.959, 0.453691/step, 0 hours remaining, 3224.277344 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 19756.6583 5724.4523 179.8271 -337741.4189 23251.0999 0.0000 0.0000 45359.0779 -222495.4095 165.0039 -267854.4874 -222061.0913 165.0039 -3197.5172 -2425.4145 921491.4634 -3197.5172 -2425.4145
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, 3229.727 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.727 MB of memory in use
====================================================
WallClock: 240.802948 CPUTime: 240.802948 Memory: 3229.726562 MB
[Partition 0][Node 0] End of program
Application 109969094 resources: utime ~947s, stime ~18s, Rss ~127068, inblocks ~67010, outblocks ~72240
Displaying status file:
verified
WALL=240.802948
CPU=240.802948
MEM=3229.726562
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins14555699040380423174.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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