Skipping 717 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 ============== 54.8404
LDB: Largest compute 200 load 0.428385 is 1.2% of average load 36.789437
LDB: Average compute 0.051529 is 0.1% of average load 36.789437
LDB: Partitioning computes with target load 3.678944
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055549
LDB: ============== END OF LOAD BALANCING =============== 54.8425
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.8434
Info: Initial time: 4 CPUs 0.473118 s/step 5.4759 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.2853, 0.47225/step Wall: 48.2853, 0.47225/step, 0.0524723 hours remaining, 3221.531250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.2662
LDB: ============== END OF LOAD BALANCING =============== 64.2663
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.2667
TIMING: 120 CPU: 57.706, 0.471032/step Wall: 57.706, 0.471031/step, 0.04972 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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TIMING: 140 CPU: 67.1244, 0.470922/step Wall: 67.1244, 0.470922/step, 0.0470922 hours remaining, 3221.886719 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: 76.5323, 0.470393/step Wall: 76.5323, 0.470393/step, 0.044426 hours remaining, 3222.167969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8124 18508.1492 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9850 18346.8657 5696.1509 188.4544 -332368.8225 20884.6195 0.0000 0.0000 43005.6962 -222309.0507 156.4429 -265314.7469 -222160.7803 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -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 19195.1038 18891.7628 5743.5896 160.0071 -332124.2126 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
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ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2976 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9254, 0.469656/step Wall: 85.9254, 0.469656/step, 0.0417472 hours remaining, 3222.167969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9916 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -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 19122.7579 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3655 -222242.4589 154.8738 -264816.8245 -222086.7182 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.5000 21161.1533 0.0000 0.0000 43911.2864 -222391.0323 159.7372 -266302.3187 -222090.4394 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.883
LDB: Largest compute 200 load 0.424639 is 1.2% of average load 36.600095
LDB: Average compute 0.051269 is 0.1% of average load 36.600095
LDB: TIME 101.885 LOAD: AVG 36.6001 MAX 37.6161 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.53 MB
LDB: TIME 101.887 LOAD: AVG 36.6001 MAX 37.5046 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.53 MB
LDB: ============== END OF LOAD BALANCING =============== 101.889
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.892
Info: Initial time: 4 CPUs 0.470308 s/step 5.44338 days/ns 3223.56 MB memory
TIMING: 200 CPU: 95.326, 0.470029/step Wall: 95.326, 0.470029/step, 0.0391691 hours remaining, 3223.558594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6350 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4188 -334751.7131 21239.1340 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4437 -222100.1077 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4529 -222116.7003 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8062 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9790 21289.9001 0.0000 0.0000 42143.6913 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3477 -2585.9682 921491.4634 -1896.3477 -2585.9682
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8135 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6800 -222642.3816 168.3309 -268916.0616 -222106.7901 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -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 21385.1735 20194.2567 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4333 -222516.0282 164.6123 -267767.4615 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8630 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7284 -222254.1129 156.5376 -265285.8413 -222106.8542 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8221 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1637 -222249.7027 156.4046 -265244.8664 -222104.2319 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2160 19524.5247 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7805 -222504.4448 165.2210 -267923.2252 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7446 5733.3059 176.6827 -333645.3934 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6587 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3320 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0448 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5060 5756.9571 180.1770 -332560.1059 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 21778.3867 19581.4819 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.748, 0.471098/step Wall: 104.748, 0.471098/step, 0.036641 hours remaining, 3223.558594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 238 19419.4412 19404.0884 5740.6977 175.0128 -333964.3153 21778.9043 0.0000 0.0000 44901.2438 -222544.9271 163.3384 -267446.1708 -222065.9778 163.3384 -987.6012 -2425.5309 921491.4634 -987.6012 -2425.5309
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TIMING: 240 CPU: 114.161, 0.470649/step Wall: 114.161, 0.470649/step, 0.0339913 hours remaining, 3223.558594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8198 21831.0567 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5916 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7070 21770.4748 0.0000 0.0000 45537.0691 -222575.9246 165.6513 -268112.9937 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6011 21720.5676 0.0000 0.0000 45629.1663 -222554.1195 165.9864 -268183.2858 -222078.7771 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5947 21701.2470 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1597 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3721 -222425.8458 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8637 19667.1120 5729.5496 195.2411 -334977.1807 21784.0537 0.0000 0.0000 45520.0193 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
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ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5975 21757.6849 0.0000 0.0000 43181.1611 -222297.2440 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5652 18878.1874 5681.1759 194.7976 -333481.0042 21780.2420 0.0000 0.0000 44488.5468 -222428.4893 161.8371 -266917.0361 -222060.1686 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1548 21817.5078 0.0000 0.0000 45796.2578 -222556.7764 166.5942 -268353.0342 -222062.0610 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7709 18984.1030 5671.3007 192.3773 -335369.5281 21871.0067 0.0000 0.0000 45431.1554 -222501.8141 165.2661 -267932.9695 -222063.7309 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.564, 0.470155/step Wall: 123.564, 0.470155/step, 0.0313437 hours remaining, 3223.906250 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 19188.2463 5675.1876 191.0393 -336169.7731 21924.7894 0.0000 0.0000 44083.4304 -222362.1258 160.3634 -266445.5562 -222069.6815 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2724 19814.6777 5694.0656 188.7122 -336291.7861 21947.6075 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4507 -222052.4325 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7770 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7773 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6630 21906.0164 0.0000 0.0000 43607.6372 -222352.1120 158.6326 -265959.7492 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8699 5712.1327 187.6137 -334399.4574 21914.4806 0.0000 0.0000 43399.3795 -222348.1912 157.8750 -265747.5707 -222054.3634 157.8750 -2130.7240 -2664.5955 921491.4634 -2130.7240 -2664.5955
ENERGY: 267 19648.0904 20691.2676 5707.0583 187.8501 -334831.4852 21930.8375 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9159 20375.7513 5700.1930 187.9286 -335513.7448 21959.1258 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
ENERGY: 269 21396.7813 19927.1700 5694.0390 187.7639 -336221.0661 21997.2161 0.0000 0.0000 44586.5098 -222431.5860 162.1935 -267018.0958 -222066.1975 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9165 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0436 161.1804 -3583.3634 -2617.7582 921491.4634 -3583.3634 -2617.7582
ENERGY: 271 22345.5824 19078.8063 5690.0209 186.1610 -336571.7894 22035.2502 0.0000 0.0000 44829.4473 -222406.5213 163.0772 -267235.9686 -222066.8387 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4616 22015.0580 0.0000 0.0000 45607.7077 -222503.3110 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7014 21985.5296 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 275 20005.4318 19374.0681 5703.3424 182.5376 -333318.5605 21960.8299 0.0000 0.0000 43741.9683 -222350.3824 159.1213 -266092.3507 -222065.7692 159.1213 -1269.7930 -2374.8869 921491.4634 -1269.7930 -2374.8869
ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1285 21971.0410 0.0000 0.0000 44028.5272 -222412.2142 160.1637 -266440.7414 -222072.9397 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7161 5695.5210 182.9396 -333864.3457 21997.2387 0.0000 0.0000 44632.8113 -222481.8220 162.3619 -267114.6333 -222061.0990 162.3619 -2311.7544 -2498.0546 921491.4634 -2311.7544 -2498.0546
ENERGY: 278 20199.4576 19713.7761 5686.9122 183.6585 -334821.1008 22041.3359 0.0000 0.0000 44532.2542 -222463.7063 161.9961 -266995.9605 -222063.4133 161.9961 -3254.8157 -2593.7698 921491.4634 -3254.8157 -2593.7698
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5806 22096.4199 0.0000 0.0000 43975.0881 -222376.7281 159.9693 -266351.8162 -222065.2026 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 132.953, 0.469427/step Wall: 132.953, 0.469427/step, 0.0286872 hours remaining, 3223.906250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3232 19458.4367 5670.0026 185.3899 -336752.6637 22145.1354 0.0000 0.0000 44066.7339 -222367.6419 160.3027 -266434.3759 -222073.4248 160.3027 -4286.3895 -2748.0547 921491.4634 -4286.3895 -2748.0547
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ENERGY: 282 20943.7899 19615.5378 5669.9796 186.8360 -336942.5037 22176.7654 0.0000 0.0000 45823.3371 -222526.2578 166.6927 -268349.5950 -222063.3316 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9202 22171.0648 0.0000 0.0000 45328.8521 -222487.2588 164.8939 -267816.1109 -222060.8460 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3999 20401.8821 5692.0830 187.1346 -335412.6300 22166.2909 0.0000 0.0000 44071.4480 -222387.3915 160.3198 -266458.8396 -222061.5541 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9627 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2631 -222354.5546 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6308 20966.5620 5721.5031 185.8229 -334658.1147 22176.6863 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1189 20856.7820 5731.9346 184.4714 -334918.1479 22200.2910 0.0000 0.0000 44282.9439 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
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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 ============== 148.919
LDB: Largest compute 200 load 0.522043 is 1.1% of average load 45.705755
LDB: Average compute 0.064033 is 0.1% of average load 45.705755
LDB: TIME 148.921 LOAD: AVG 45.7058 MAX 47.0271 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 148.921 LOAD: AVG 45.7058 MAX 47.0271 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 148.927 LOAD: AVG 45.7058 MAX 46.2031 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 148.928
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.929
Info: Initial time: 4 CPUs 0.469994 s/step 5.43975 days/ns 3224.34 MB memory
TIMING: 300 CPU: 142.335, 0.469138/step Wall: 142.335, 0.469138/step, 0.0260632 hours remaining, 3224.335938 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: 151.557, 0.461089/step Wall: 151.557, 0.461089/step, 0.0230544 hours remaining, 3224.335938 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: 160.77, 0.46064/step Wall: 160.77, 0.46064/step, 0.0204729 hours remaining, 3224.335938 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: 169.976, 0.460324/step Wall: 169.976, 0.460324/step, 0.0179015 hours remaining, 3224.335938 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 20646.4610 20251.1592 5706.5521 182.3248 -335763.5803 22794.3769 0.0000 0.0000 43848.2760 -222334.4303 159.5080 -266182.7062 -222041.4013 159.5080 -1819.5860 -2472.4987 921491.4634 -1819.5860 -2472.4987
ENERGY: 378 20473.8102 20495.6592 5711.4639 183.2952 -336584.2280 22821.5832 0.0000 0.0000 44474.7542 -222423.6621 161.7869 -266898.4163 -222044.3967 161.7869 -2972.9876 -2523.3500 921491.4634 -2972.9876 -2523.3500
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TIMING: 380 CPU: 179.179, 0.460108/step Wall: 179.179, 0.460108/step, 0.0153369 hours remaining, 3224.335938 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: 385 19327.8181 19356.8911 5707.7751 177.4354 -335210.6400 22871.6139 0.0000 0.0000 45299.7171 -222469.3891 164.7879 -267769.1062 -222051.0995 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2274 19220.9465 5707.6637 175.9385 -334865.1818 22880.7954 0.0000 0.0000 44519.8586 -222378.7517 161.9510 -266898.6103 -222051.0439 161.9510 122.6668 -2011.2428 921491.4634 122.6668 -2011.2428
ENERGY: 387 20367.2862 19202.4845 5710.9354 174.6759 -335109.8727 22905.2740 0.0000 0.0000 44377.1815 -222372.0351 161.4320 -266749.2166 -222053.0052 161.4320 -738.9587 -2019.1689 921491.4634 -738.9587 -2019.1689
ENERGY: 388 20282.3989 19280.0169 5717.2934 173.7038 -335824.1522 22938.2897 0.0000 0.0000 44972.7760 -222459.6735 163.5986 -267432.4495 -222067.4822 163.5986 -2063.8557 -2076.2822 921491.4634 -2063.8557 -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: 398 19692.8117 20133.3588 5716.9814 176.0456 -336812.3375 23014.0585 0.0000 0.0000 45592.7319 -222486.3497 165.8538 -268079.0816 -222045.7222 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.976
LDB: Largest compute 230 load 0.525244 is 1.2% of average load 45.661921
LDB: Average compute 0.063941 is 0.1% of average load 45.661921
LDB: TIME 194.978 LOAD: AVG 45.6619 MAX 46.0474 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 194.978 LOAD: AVG 45.6619 MAX 46.0474 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 194.979 LOAD: AVG 45.6619 MAX 46.0474 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 194.979
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.98
Info: Benchmark time: 4 CPUs 0.460395 s/step 5.32864 days/ns 3224.34 MB memory
TIMING: 400 CPU: 188.379, 0.460016/step Wall: 188.379, 0.460016/step, 0.0127782 hours remaining, 3224.335938 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 22444.0480 19835.9105 5715.8942 173.8391 -338107.6283 23109.6379 0.0000 0.0000 44436.8093 -222391.4892 161.6489 -266828.2985 -222049.2228 161.6489 -4939.3794 -2681.7025 921491.4634 -4939.3794 -2681.7025
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9781 23077.8403 0.0000 0.0000 45225.5959 -222483.0986 164.5183 -267708.6945 -222046.6856 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
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ENERGY: 408 19735.8472 19387.6644 5692.2152 187.5226 -335902.8225 23017.8175 0.0000 0.0000 45394.4121 -222487.3435 165.1324 -267881.7556 -222063.5315 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
ENERGY: 409 20350.1188 19376.4608 5688.4775 191.1593 -336896.6854 23057.9924 0.0000 0.0000 45733.6059 -222498.8707 166.3663 -268232.4765 -222051.6708 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5211 19470.1804 5687.6650 194.4179 -337813.1852 23106.2030 0.0000 0.0000 45077.0714 -222427.1263 163.9780 -267504.1978 -222054.6430 163.9780 -3838.6211 -2402.0239 921491.4634 -3838.6211 -2402.0239
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ENERGY: 413 21130.1416 20138.5249 5699.9334 199.7191 -337872.5321 23125.1117 0.0000 0.0000 45113.2142 -222465.8871 164.1095 -267579.1012 -222055.3454 164.1095 -3850.6268 -2398.9548 921491.4634 -3850.6268 -2398.9548
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ENERGY: 415 19745.2665 20572.1257 5708.7452 198.1487 -336456.1974 23071.1993 0.0000 0.0000 44733.2274 -222427.4846 162.7272 -267160.7120 -222049.0347 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3170 20661.9893 5710.0857 195.6954 -336157.5863 23063.1716 0.0000 0.0000 44200.2850 -222384.0424 160.7885 -266584.3273 -222052.9647 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3751 20631.3206 5709.0494 192.4696 -336373.1077 23072.1099 0.0000 0.0000 44338.4619 -222398.3212 161.2911 -266736.7831 -222044.6996 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6649 20457.0906 5705.5848 188.6536 -336970.7869 23098.6727 0.0000 0.0000 44915.1422 -222450.9781 163.3889 -267366.1203 -222046.7096 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7632 20185.5521 5700.4811 184.6055 -337717.8758 23139.8023 0.0000 0.0000 45250.3100 -222466.3616 164.6082 -267716.6716 -222049.5953 164.6082 -1783.9423 -2336.6464 921491.4634 -1783.9423 -2336.6464
TIMING: 420 CPU: 197.555, 0.458805/step Wall: 197.555, 0.458805/step, 0.0101957 hours remaining, 3224.335938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8984 19324.4272 5689.6736 172.2145 -337416.8955 23180.6040 0.0000 0.0000 45183.9711 -222447.1065 164.3669 -267631.0777 -222051.5234 164.3669 -3955.8306 -2434.9306 921491.4634 -3955.8306 -2434.9306
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ENERGY: 427 19598.5317 19595.2899 5707.1504 168.7509 -335498.4325 23074.5006 0.0000 0.0000 44915.2775 -222438.9314 163.3894 -267354.2089 -222048.7342 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4229 19760.4171 5710.4629 168.5259 -336199.9861 23087.7677 0.0000 0.0000 44884.2594 -222448.1303 163.2766 -267332.3896 -222058.0555 163.2766 -935.5734 -2206.9585 921491.4634 -935.5734 -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 22013.9873 20024.3739 5712.1700 168.1897 -338096.9210 23149.4492 0.0000 0.0000 44626.3097 -222402.4412 162.3382 -267028.7509 -222047.3921 162.3382 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3703 20188.6724 5710.3547 168.1086 -338651.2098 23176.0844 0.0000 0.0000 45177.9907 -222461.6287 164.3451 -267639.6195 -222065.9060 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9070 20275.9662 5710.3763 168.4633 -338164.0633 23162.2909 0.0000 0.0000 45192.9282 -222453.1313 164.3995 -267646.0595 -222052.5984 164.3995 -3187.3731 -2272.1275 921491.4634 -3187.3731 -2272.1275
ENERGY: 434 20730.3411 20338.1497 5711.6061 169.3247 -337394.2698 23140.7733 0.0000 0.0000 44883.0995 -222420.9754 163.2724 -267304.0749 -222051.1464 163.2724 -2694.3106 -2227.7884 921491.4634 -2694.3106 -2227.7884
ENERGY: 435 20235.2200 20362.4012 5714.0003 170.8455 -336680.6548 23123.4095 0.0000 0.0000 44675.9836 -222398.7946 162.5189 -267074.7783 -222049.5891 162.5189 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9243 20349.9978 5717.2345 173.0864 -336303.8806 23119.9076 0.0000 0.0000 44847.0980 -222425.6321 163.1414 -267272.7301 -222059.6963 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5516 20329.5089 5720.9894 175.9827 -336411.9780 23136.3865 0.0000 0.0000 45159.2685 -222455.2904 164.2770 -267614.5589 -222050.7506 164.2770 -1319.1170 -2134.4848 921491.4634 -1319.1170 -2134.4848
ENERGY: 438 19935.1532 20278.6092 5724.6884 179.3849 -336899.4572 23173.5516 0.0000 0.0000 45148.1322 -222459.9377 164.2365 -267608.0699 -222051.5672 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 206.722, 0.458328/step Wall: 206.722, 0.458328/step, 0.0076388 hours remaining, 3224.335938 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 20036.2369 5729.7527 186.7202 -338123.1804 23276.2482 0.0000 0.0000 44417.5457 -222405.1083 161.5788 -266822.6540 -222059.4777 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
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ENERGY: 442 21853.6117 19664.5348 5729.4854 192.9412 -338090.1532 23327.1563 0.0000 0.0000 44880.6320 -222441.7917 163.2634 -267322.4238 -222049.7759 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3314 19487.0721 5727.6164 194.9329 -337369.3150 23320.0153 0.0000 0.0000 45118.1110 -222457.2358 164.1273 -267575.3468 -222048.6000 164.1273 -2448.1648 -2220.3532 921491.4634 -2448.1648 -2220.3532
ENERGY: 444 20449.3361 19357.2689 5725.4095 195.8735 -336464.1925 23301.5271 0.0000 0.0000 44987.7180 -222447.0594 163.6530 -267434.7774 -222057.9803 163.6530 -2090.2100 -2206.4401 921491.4634 -2090.2100 -2206.4401
ENERGY: 445 20125.5607 19307.2517 5723.6513 195.6942 -335759.3918 23283.8133 0.0000 0.0000 44708.7158 -222414.7047 162.6380 -267123.4205 -222046.5433 162.6380 -1846.9628 -2201.6927 921491.4634 -1846.9628 -2201.6927
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5714 23276.0446 0.0000 0.0000 44620.2948 -222408.7844 162.3164 -267029.0792 -222046.1626 162.3164 -1800.7521 -2216.7296 921491.4634 -1800.7521 -2216.7296
ENERGY: 447 19914.2848 19416.0212 5722.2107 191.8642 -335769.4406 23282.7453 0.0000 0.0000 44816.5090 -222425.8055 163.0301 -267242.3145 -222046.8348 163.0301 -1993.3116 -2253.0605 921491.4634 -1993.3116 -2253.0605
ENERGY: 448 20187.5922 19583.6802 5722.5765 188.5554 -336503.1802 23303.8899 0.0000 0.0000 45065.6676 -222451.2185 163.9365 -267516.8861 -222059.3480 163.9365 -2372.1879 -2303.7898 921491.4634 -2372.1879 -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 21754.4855 20108.1301 5724.4776 181.0898 -338419.3250 23364.6238 0.0000 0.0000 44854.3096 -222432.2086 163.1677 -267286.5182 -222048.7860 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5903 20357.7256 5724.7144 177.6517 -338952.0908 23381.8003 0.0000 0.0000 44542.6986 -222411.9100 162.0341 -266954.6086 -222048.8245 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2015 20536.0134 5723.8954 174.8859 -338927.1538 23378.0940 0.0000 0.0000 44452.9196 -222415.1442 161.7075 -266868.0638 -222059.6373 161.7075 -2659.9605 -2384.7568 921491.4634 -2659.9605 -2384.7568
ENERGY: 453 21399.8725 20641.1310 5722.2879 173.1350 -338392.7933 23354.5904 0.0000 0.0000 44683.7033 -222418.0733 162.5470 -267101.7766 -222043.5374 162.5470 -2048.3337 -2342.4668 921491.4634 -2048.3337 -2342.4668
ENERGY: 454 20248.3380 20654.1372 5720.2218 172.3637 -337567.1413 23320.6898 0.0000 0.0000 45008.1463 -222443.2445 163.7273 -267451.3908 -222041.8394 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6450 23290.4021 0.0000 0.0000 45086.5785 -222451.1606 164.0126 -267537.7391 -222040.8573 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4249 -336350.1072 23274.9629 0.0000 0.0000 44811.4720 -222438.4398 163.0118 -267249.9118 -222055.3488 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8161 23277.8273 0.0000 0.0000 44521.8700 -222403.2005 161.9583 -266925.0705 -222049.4135 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0956 23294.7171 0.0000 0.0000 44632.7884 -222405.1602 162.3618 -267037.9486 -222051.2825 162.3618 -2684.6989 -2301.0427 921491.4634 -2684.6989 -2301.0427
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TIMING: 460 CPU: 215.885, 0.458192/step Wall: 215.885, 0.458192/step, 0.00509102 hours remaining, 3224.335938 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 21262.6139 19597.9063 5728.0972 179.4910 -338014.3766 23341.8001 0.0000 0.0000 45423.8563 -222480.6119 165.2395 -267904.4682 -222064.6839 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2255 19487.8109 5736.4823 180.9531 -337988.7171 23351.1086 0.0000 0.0000 44559.9290 -222408.2077 162.0968 -266968.1367 -222056.7217 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1790 19513.9017 5738.9361 181.1160 -337284.1031 23326.9478 0.0000 0.0000 44313.4569 -222388.5655 161.2002 -266702.0225 -222054.6245 161.2002 -2012.4423 -2264.0779 921491.4634 -2012.4423 -2264.0779
ENERGY: 464 20535.2459 19559.9275 5739.2518 181.0096 -336389.3843 23291.1943 0.0000 0.0000 44654.0265 -222428.7287 162.4391 -267082.7552 -222058.5732 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7826 19631.8858 5737.2899 180.7155 -335701.1537 23259.7392 0.0000 0.0000 45094.5684 -222474.1722 164.0416 -267568.7407 -222052.9391 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4510 19708.3586 5733.2107 180.2808 -335443.7729 23245.0605 0.0000 0.0000 45020.7904 -222467.6209 163.7733 -267488.4113 -222052.9788 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8069 19783.1748 5727.6704 179.7757 -335721.0955 23249.4531 0.0000 0.0000 44523.6661 -222415.5485 161.9649 -266939.2146 -222054.3498 161.9649 -1393.6031 -2232.5924 921491.4634 -1393.6031 -2232.5924
ENERGY: 468 20761.8482 19845.4947 5721.5090 179.2779 -336451.5669 23265.8128 0.0000 0.0000 44291.6581 -222385.9665 161.1209 -266677.6245 -222056.3593 161.1209 -2508.6715 -2314.1340 921491.4634 -2508.6715 -2314.1340
ENERGY: 469 21236.3016 19910.2024 5715.6824 178.8504 -337458.3205 23284.3964 0.0000 0.0000 44720.3198 -222412.5674 162.6802 -267132.8872 -222046.0752 162.6802 -3596.7407 -2405.7972 921491.4634 -3596.7407 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8934 5710.9491 178.5947 -338383.2509 23297.0675 0.0000 0.0000 45346.4571 -222466.1159 164.9579 -267812.5729 -222047.6091 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8678 20054.6833 5707.9626 178.5890 -338913.2452 23297.5088 0.0000 0.0000 45471.3364 -222470.2973 165.4122 -267941.6337 -222047.5361 165.4122 -4290.5682 -2504.3175 921491.4634 -4290.5682 -2504.3175
ENERGY: 472 22081.2360 20161.5548 5707.0091 178.9047 -338870.6767 23279.4495 0.0000 0.0000 45028.5294 -222433.9933 163.8014 -267462.5227 -222059.5061 163.8014 -3659.7359 -2479.9183 921491.4634 -3659.7359 -2479.9183
ENERGY: 473 21866.1361 20289.3422 5707.9843 179.6165 -338307.7191 23240.7367 0.0000 0.0000 44634.5171 -222389.3862 162.3681 -267023.9033 -222043.8543 162.3681 -2556.3614 -2408.1657 921491.4634 -2556.3614 -2408.1657
ENERGY: 474 20842.9703 20372.0982 5710.2161 180.7466 -337438.4551 23189.2352 0.0000 0.0000 44733.2303 -222409.9585 162.7272 -267143.1888 -222041.2623 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2080 20371.7670 5712.9876 182.2512 -336604.2312 23142.3822 0.0000 0.0000 45070.2134 -222450.4220 163.9530 -267520.6353 -222039.4533 163.9530 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7862 20282.0271 5715.7683 184.0125 -336100.0905 23115.8470 0.0000 0.0000 45106.0628 -222460.5866 164.0835 -267566.6493 -222053.6142 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7250 20145.9810 5718.4976 185.9230 -336101.8793 23114.2943 0.0000 0.0000 44812.3203 -222420.1379 163.0149 -267232.4582 -222044.8416 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4041 23131.2464 0.0000 0.0000 44627.0329 -222402.1319 162.3409 -267029.1648 -222047.4111 162.3409 -1807.1605 -2198.7956 921491.4634 -1807.1605 -2198.7956
ENERGY: 479 21125.3059 19793.3953 5723.3295 189.2099 -337215.5844 23156.6775 0.0000 0.0000 44802.1576 -222425.5087 162.9779 -267227.6663 -222050.5465 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.042, 0.457846/step Wall: 225.042, 0.457846/step, 0.00254359 hours remaining, 3224.335938 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 -337854.6791 23181.5121 0.0000 0.0000 45051.6814 -222458.7555 163.8856 -267510.4369 -222064.6214 163.8856 -4077.7326 -2291.4892 921491.4634 -4077.7326 -2291.4892
ENERGY: 481 22092.4853 19510.0431 5727.0953 190.6351 -338199.2486 23196.7962 0.0000 0.0000 45041.3369 -222440.8568 163.8480 -267482.1937 -222052.5270 163.8480 -4466.2393 -2305.6733 921491.4634 -4466.2393 -2305.6733
ENERGY: 482 22186.3466 19466.6793 5728.4964 190.3598 -338044.5424 23192.7477 0.0000 0.0000 44865.8521 -222414.0605 163.2096 -267279.9126 -222051.4117 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1412 19511.5746 5729.5660 189.3227 -337426.2192 23165.8743 0.0000 0.0000 44861.8969 -222414.8434 163.1953 -267276.7404 -222048.7677 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8926 19631.1942 5730.2465 187.5455 -336590.8886 23126.1353 0.0000 0.0000 45003.6029 -222451.2715 163.7107 -267454.8745 -222059.8741 163.7107 -1565.2424 -2143.1849 921491.4634 -1565.2424 -2143.1849
ENERGY: 485 19688.7721 19800.2995 5730.5256 185.2458 -335902.5868 23092.8472 0.0000 0.0000 44955.5721 -222449.3244 163.5360 -267404.8965 -222045.9604 163.5360 -422.1569 -2086.8735 921491.4634 -422.1569 -2086.8735
ENERGY: 486 19602.5428 19954.8180 5729.7198 182.4662 -335612.3570 23080.3809 0.0000 0.0000 44645.9113 -222416.5180 162.4096 -267062.4293 -222044.6759 162.4096 87.3180 -2070.0982 921491.4634 87.3180 -2070.0982
ENERGY: 487 19881.0926 20072.0216 5727.4348 179.4360 -335846.4484 23091.0545 0.0000 0.0000 44503.3491 -222392.0598 161.8910 -266895.4088 -222045.2405 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2100 20156.1363 5723.5441 176.4338 -336552.5458 23118.8617 0.0000 0.0000 44827.0555 -222425.3044 163.0685 -267252.3599 -222057.1941 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8873 20236.4609 5718.5749 173.8639 -337540.4659 23156.7310 0.0000 0.0000 45266.1003 -222461.8476 164.6656 -267727.9479 -222045.6088 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 20292.9020 5712.8913 171.8438 -338458.1362 23196.4877 0.0000 0.0000 45213.5628 -222459.6996 164.4745 -267673.2624 -222048.2210 164.4745 -3823.4039 -2437.4156 921491.4634 -3823.4039 -2437.4156
ENERGY: 491 22430.4639 20312.1358 5707.3795 170.5404 -338984.5791 23226.0936 0.0000 0.0000 44733.0087 -222404.9571 162.7264 -267137.9659 -222049.4641 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9546 20289.6808 5702.9945 170.0208 -338937.5811 23232.7203 0.0000 0.0000 44542.1948 -222387.0154 162.0323 -266929.2102 -222060.3863 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2186 20260.7372 5700.7779 170.3201 -338358.0626 23214.0534 0.0000 0.0000 45033.8225 -222420.1329 163.8207 -267453.9554 -222046.5904 163.8207 -3796.3820 -2540.0997 921491.4634 -3796.3820 -2540.0997
ENERGY: 494 20068.3364 20225.0259 5700.9806 171.2193 -337454.3825 23183.0792 0.0000 0.0000 45622.2469 -222483.4942 165.9612 -268105.7412 -222044.0871 165.9612 -2500.8994 -2482.1069 921491.4634 -2500.8994 -2482.1069
ENERGY: 495 19383.2461 20186.8298 5703.5926 172.5416 -336566.9875 23159.4621 0.0000 0.0000 45484.1225 -222477.1928 165.4587 -267961.3153 -222041.5566 165.4587 -1249.6839 -2407.3057 921491.4634 -1249.6839 -2407.3057
ENERGY: 496 19722.4832 20130.6469 5708.0351 174.0933 -335998.7142 23154.2631 0.0000 0.0000 44699.5265 -222409.6660 162.6046 -267109.1925 -222049.0671 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6668 20059.9172 5713.4613 175.7242 -335952.5029 23166.3540 0.0000 0.0000 44261.0283 -222363.3511 161.0095 -266624.3794 -222042.7501 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0166 19957.1211 5718.5597 177.2604 -336366.4920 23189.3579 0.0000 0.0000 44728.2530 -222413.9234 162.7091 -267142.1764 -222044.5220 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0680 19847.7304 5722.4090 178.6361 -337058.4811 23219.2397 0.0000 0.0000 45439.2640 -222493.1340 165.2956 -267932.3980 -222047.2063 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.457422 s/step 5.29424 days/ns 3224.34 MB memory
TIMING: 500 CPU: 234.121, 0.453948/step Wall: 234.121, 0.453948/step, 0 hours remaining, 3224.335938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6580 5724.4523 179.8271 -337741.4182 23251.1001 0.0000 0.0000 45359.0774 -222495.4095 165.0039 -267854.4869 -222061.0913 165.0039 -3197.5170 -2425.4145 921491.4634 -3197.5170 -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, 3229.594 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.594 MB of memory in use
====================================================
WallClock: 241.607330 CPUTime: 241.607330 Memory: 3229.593750 MB
[Partition 0][Node 0] End of program
Application 110102492 resources: utime ~948s, stime ~19s, Rss ~127036, inblocks ~67011, outblocks ~72240
Displaying status file:
verified
WALL=241.607330
CPU=241.607330
MEM=3229.593750
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins13759093233415153960.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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