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 ============== 59.4212
LDB: Largest compute 200 load 0.429719 is 1.2% of average load 36.825246
LDB: Average compute 0.051589 is 0.1% of average load 36.825246
LDB: Partitioning computes with target load 3.682525
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055233
LDB: ============== END OF LOAD BALANCING =============== 59.4233
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 59.4242
Info: Initial time: 4 CPUs 0.472956 s/step 5.47402 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.2658, 0.471834/step Wall: 48.2658, 0.471834/step, 0.052426 hours remaining, 3221.574219 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 ============== 68.845
LDB: ============== END OF LOAD BALANCING =============== 68.8451
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 68.8455
TIMING: 120 CPU: 57.6864, 0.47103/step Wall: 57.6864, 0.47103/step, 0.0497199 hours remaining, 3221.796875 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: 67.0963, 0.470494/step Wall: 67.0962, 0.470494/step, 0.0470494 hours remaining, 3222.011719 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: 76.4976, 0.470065/step Wall: 76.4976, 0.470065/step, 0.0443951 hours remaining, 3222.152344 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 43070.6068 -222342.9106 156.6790 -265413.5174 -222161.4908 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9850 18346.8656 5696.1509 188.4544 -332368.8224 20884.6196 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
ENERGY: 164 19652.8065 18261.0400 5702.5306 194.0206 -331567.4470 20861.9109 0.0000 0.0000 44426.5344 -222468.6040 161.6115 -266895.1384 -222170.9035 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9906 -2933.5976 921491.4634 -1735.9906 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5121 -222468.0278 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3197 18664.1735 5738.9484 156.2659 -332371.2414 20981.6519 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6847 -2681.8089 921491.4634 -2870.6847 -2681.8089
ENERGY: 178 21917.7901 18733.9559 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 85.8895, 0.469598/step Wall: 85.8895, 0.469598/step, 0.041742 hours remaining, 3222.292969 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0858 -222130.9081 154.4178 -3641.8537 -2802.0866 921491.4634 -3641.8537 -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: 196 19755.8663 19594.9319 5717.4229 183.5644 -332319.6953 21082.8579 0.0000 0.0000 43603.6155 -222381.4364 158.6180 -265985.0519 -222096.3130 158.6180 -1480.5941 -2574.8092 921491.4634 -1480.5941 -2574.8092
ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2735 21129.4588 0.0000 0.0000 42574.3655 -222242.4590 154.8738 -264816.8245 -222086.7182 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0062 18800.3005 5711.3574 186.3640 -333385.5002 21161.1534 0.0000 0.0000 43911.2864 -222391.0323 159.7372 -266302.3187 -222090.4394 159.7372 -4381.6810 -2646.7680 921491.4634 -4381.6810 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 106.441
LDB: Largest compute 200 load 0.424562 is 1.2% of average load 36.645642
LDB: Average compute 0.051331 is 0.1% of average load 36.645642
LDB: TIME 106.443 LOAD: AVG 36.6456 MAX 37.5956 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 106.445 LOAD: AVG 36.6456 MAX 37.5097 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 106.447
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 106.45
Info: Initial time: 4 CPUs 0.470116 s/step 5.44116 days/ns 3223.6 MB memory
TIMING: 200 CPU: 95.2872, 0.469885/step Wall: 95.2872, 0.469885/step, 0.0391571 hours remaining, 3223.597656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6349 5711.8747 190.0258 -334670.2813 21209.9248 0.0000 0.0000 45319.1600 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1029 18674.3334 5716.2802 191.4188 -334751.7132 21239.1341 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4438 -222100.1079 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8115 18850.8451 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0517 -2588.0014 921491.4634 -3005.0517 -2588.0014
ENERGY: 203 20743.8943 19130.0391 5729.2400 192.0764 -333501.9373 21215.8255 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2199 21188.8404 0.0000 0.0000 45629.4718 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2552 21197.9187 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8061 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8033 20338.2890 5726.5434 185.3060 -333603.9793 21289.9002 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1374 -222103.0933 153.3072 -1896.3479 -2585.9682 921491.4634 -1896.3479 -2585.9682
ENERGY: 208 20293.2704 20371.8902 5718.1572 182.8654 -334789.2380 21322.2411 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8136 -222122.6315 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8172 20325.0057 5710.3389 180.5135 -335910.2415 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 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 21385.1735 20194.2568 5705.3139 178.4614 -336615.7769 21385.1097 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8631 5704.9373 176.9105 -336667.8927 21415.1478 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2976 -2885.1009 921491.4634 -5900.2976 -2885.1009
ENERGY: 212 23739.2708 19730.8221 5710.0295 176.0352 -336013.6227 21412.5984 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5553 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3937 21358.4487 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6589 -222093.7409 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5664 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1065 21436.4837 0.0000 0.0000 42442.1788 -222248.3320 154.3930 -264690.5108 -222073.6158 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6762 21497.2707 0.0000 0.0000 41983.6751 -222225.0685 152.7251 -264208.7435 -222064.4467 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1152 21546.6562 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2199 -222068.8157 160.7099 -2628.0654 -2703.9746 921491.4634 -2628.0654 -2703.9746
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TIMING: 220 CPU: 104.717, 0.471509/step Wall: 104.717, 0.471509/step, 0.0366729 hours remaining, 3223.597656 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: 114.138, 0.471053/step Wall: 114.138, 0.471053/step, 0.0340205 hours remaining, 3223.597656 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 22110.7714 20111.8209 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8721 -222396.7195 158.3388 -265923.5916 -222063.5736 158.3388 -4623.1687 -2633.0913 921491.4634 -4623.1687 -2633.0913
ENERGY: 243 19462.3618 19969.6445 5749.3614 168.8705 -335233.7067 21770.4749 0.0000 0.0000 45537.0691 -222575.9245 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4503 -2614.6992 921491.4634 -3760.4503 -2614.6992
ENERGY: 244 18822.2463 19849.3933 5737.4544 169.6534 -334482.6010 21720.5677 0.0000 0.0000 45629.1663 -222554.1194 165.9864 -268183.2858 -222078.7771 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2369 19811.7598 5725.7785 171.4559 -334087.5947 21701.2471 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1166 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7023 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5288 19979.6438 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8851 -222068.1394 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1356 21746.4312 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -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 21994.9039 20013.1599 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4679 -2758.0338 921491.4634 -3843.4679 -2758.0338
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ENERGY: 255 20324.2312 19109.4102 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4211 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5976 21757.6849 0.0000 0.0000 43181.1612 -222297.2440 157.0812 -265478.4052 -222071.2741 157.0812 -2042.2410 -2664.5198 921491.4634 -2042.2410 -2664.5198
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0043 21780.2420 0.0000 0.0000 44488.5469 -222428.4893 161.8371 -266917.0361 -222060.1686 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1549 21817.5078 0.0000 0.0000 45796.2578 -222556.7764 166.5942 -268353.0342 -222062.0610 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.55, 0.4706/step Wall: 123.55, 0.4706/step, 0.0313734 hours remaining, 3223.886719 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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ENERGY: 262 21606.2721 19814.6776 5694.0656 188.7122 -336291.7858 21947.6075 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4508 -222052.4325 162.2485 -3214.7558 -2810.4636 921491.4634 -3214.7558 -2810.4636
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ENERGY: 264 19385.2259 20436.4304 5710.6950 187.5052 -334855.9509 21907.7773 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9924 5713.6242 187.4393 -334395.6632 21906.0164 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7900 20788.8699 5712.1327 187.6137 -334399.4578 21914.4806 0.0000 0.0000 43399.3796 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0907 20691.2677 5707.0583 187.8501 -334831.4858 21930.8375 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9162 20375.7515 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2127 -2658.6181 921491.4634 -2903.2127 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9168 5690.3173 187.1618 -336650.6776 22028.8071 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5581 18896.0662 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9681 -2501.8804 921491.4634 -2551.9681 -2501.8804
ENERGY: 273 20123.2133 18932.9081 5697.5118 183.8526 -334925.7010 21985.5297 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1972 -2434.6759 921491.4634 -1837.1972 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7159 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6329 -222061.0986 162.3619 -2311.7546 -2498.0544 921491.4634 -2311.7546 -2498.0544
ENERGY: 278 20199.4578 19713.7758 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
ENERGY: 279 21984.3651 19593.9429 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8157 -222065.2022 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 132.946, 0.469769/step Wall: 132.946, 0.469769/step, 0.0287081 hours remaining, 3223.886719 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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ENERGY: 282 20943.7896 19615.5377 5669.9796 186.8360 -336942.5032 22176.7655 0.0000 0.0000 45823.3371 -222526.2578 166.6927 -268349.5949 -222063.3316 166.6927 -2992.3269 -2779.3668 921491.4634 -2992.3269 -2779.3668
ENERGY: 283 20432.1059 19966.6612 5678.8138 187.1634 -336251.9198 22171.0648 0.0000 0.0000 45328.8520 -222487.2587 164.8939 -267816.1108 -222060.8460 164.8939 -2008.7734 -2748.2306 921491.4634 -2008.7734 -2748.2306
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ENERGY: 285 20203.3288 20789.9627 5707.3565 186.7145 -334827.1966 22167.0166 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8436 -2700.0819 921491.4634 -1010.8436 -2700.0819
ENERGY: 286 19396.6310 20966.5621 5721.5032 185.8230 -334658.1150 22176.6863 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1482 22200.2910 0.0000 0.0000 44282.9438 -222485.6059 161.0892 -266768.5498 -222055.7253 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -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 ============== 153.518
LDB: Largest compute 200 load 0.523647 is 1.1% of average load 45.734455
LDB: Average compute 0.064075 is 0.1% of average load 45.734455
LDB: TIME 153.52 LOAD: AVG 45.7345 MAX 47.0677 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 153.52 LOAD: AVG 45.7345 MAX 47.0677 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 153.525 LOAD: AVG 45.7345 MAX 46.2489 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 153.526
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 153.527
Info: Initial time: 4 CPUs 0.47037 s/step 5.4441 days/ns 3224.31 MB memory
TIMING: 300 CPU: 142.334, 0.469398/step Wall: 142.334, 0.469398/step, 0.0260777 hours remaining, 3224.308594 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: 151.56, 0.461326/step Wall: 151.56, 0.461326/step, 0.0230663 hours remaining, 3224.308594 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: 160.778, 0.460903/step Wall: 160.778, 0.460903/step, 0.0204846 hours remaining, 3224.308594 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: 169.991, 0.460609/step Wall: 169.991, 0.460609/step, 0.0179126 hours remaining, 3224.308594 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 20646.4608 20251.1592 5706.5521 182.3248 -335763.5802 22794.3773 0.0000 0.0000 43848.2756 -222334.4303 159.5080 -266182.7059 -222041.4013 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2280 22821.5836 0.0000 0.0000 44474.7538 -222423.6621 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.197, 0.460322/step Wall: 179.197, 0.460322/step, 0.0153441 hours remaining, 3224.308594 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 19625.4112 19596.0352 5710.5349 179.0647 -336052.0484 22884.2533 0.0000 0.0000 45539.1832 -222517.5658 165.6590 -268056.7490 -222062.0925 165.6590 -569.2377 -2166.9357 921491.4634 -569.2377 -2166.9357
ENERGY: 385 19327.8180 19356.8910 5707.7751 177.4354 -335210.6398 22871.6143 0.0000 0.0000 45299.7170 -222469.3889 164.7879 -267769.1060 -222051.0993 164.7879 215.3517 -2064.3636 921491.4634 215.3517 -2064.3636
ENERGY: 386 19981.2272 19220.9463 5707.6637 175.9384 -334865.1815 22880.7957 0.0000 0.0000 44519.8586 -222378.7515 161.9510 -266898.6101 -222051.0437 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2860 19202.4843 5710.9354 174.6759 -335109.8724 22905.2743 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1517 22938.2899 0.0000 0.0000 44972.7760 -222459.6731 163.5986 -267432.4491 -222067.4817 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -2076.2821
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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 19906.7784 20200.7710 5721.4919 176.2273 -336102.8175 22990.0374 0.0000 0.0000 44712.8674 -222394.6442 162.6531 -267107.5116 -222042.6600 162.6531 -376.0863 -2327.2102 921491.4634 -376.0863 -2327.2102
ENERGY: 398 19692.8116 20133.3592 5716.9814 176.0456 -336812.3379 23014.0584 0.0000 0.0000 45592.7321 -222486.3497 165.8538 -268079.0817 -222045.7223 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 199.596
LDB: Largest compute 230 load 0.522850 is 1.1% of average load 45.690025
LDB: Average compute 0.063987 is 0.1% of average load 45.690025
LDB: TIME 199.598 LOAD: AVG 45.69 MAX 46.0691 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.31 MB
LDB: TIME 199.599 LOAD: AVG 45.69 MAX 46.0691 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: TIME 199.599 LOAD: AVG 45.69 MAX 46.0691 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.31 MB
LDB: ============== END OF LOAD BALANCING =============== 199.599
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 199.6
Info: Benchmark time: 4 CPUs 0.460632 s/step 5.33139 days/ns 3224.31 MB memory
TIMING: 400 CPU: 188.401, 0.460205/step Wall: 188.401, 0.460205/step, 0.0127835 hours remaining, 3224.308594 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: 403 20784.9693 19778.4827 5715.7218 174.2695 -337239.9782 23077.8401 0.0000 0.0000 45225.5963 -222483.0984 164.5183 -267708.6948 -222046.6854 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 408 19735.8470 19387.6643 5692.2152 187.5226 -335902.8218 23017.8173 0.0000 0.0000 45394.4122 -222487.3431 165.1324 -267881.7553 -222063.5311 165.1324 -920.8283 -2294.1557 921491.4634 -920.8283 -2294.1557
ENERGY: 409 20350.1189 19376.4606 5688.4775 191.1593 -336896.6846 23057.9922 0.0000 0.0000 45733.6059 -222498.8703 166.3663 -268232.4761 -222051.6704 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
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 21130.1416 20138.5246 5699.9334 199.7191 -337872.5317 23125.1116 0.0000 0.0000 45113.2146 -222465.8868 164.1095 -267579.1014 -222055.3452 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3856 20381.5504 5705.1135 199.5118 -337122.7796 23094.4557 0.0000 0.0000 45271.6530 -222483.1096 164.6858 -267754.7625 -222052.1622 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2666 20572.1258 5708.7452 198.1487 -336456.1972 23071.1991 0.0000 0.0000 44733.2275 -222427.4843 162.7272 -267160.7118 -222049.0345 162.7272 -1174.6452 -2266.5616 921491.4634 -1174.6452 -2266.5616
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5862 23063.1714 0.0000 0.0000 44200.2851 -222384.0420 160.7885 -266584.3271 -222052.9643 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1077 23072.1098 0.0000 0.0000 44338.4620 -222398.3209 161.2911 -266736.7829 -222044.6992 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6649 20457.0910 5705.5847 188.6536 -336970.7869 23098.6726 0.0000 0.0000 44915.1423 -222450.9777 163.3889 -267366.1200 -222046.7092 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
ENERGY: 419 20790.7633 20185.5524 5700.4811 184.6054 -337717.8758 23139.8023 0.0000 0.0000 45250.3101 -222466.3612 164.6082 -267716.6713 -222049.5949 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.582, 0.459037/step Wall: 197.582, 0.459037/step, 0.0102008 hours remaining, 3224.308594 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 21418.8983 19324.4271 5689.6736 172.2145 -337416.8954 23180.6039 0.0000 0.0000 45183.9714 -222447.1064 164.3669 -267631.0778 -222051.5233 164.3669 -3955.8306 -2434.9306 921491.4634 -3955.8306 -2434.9306
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ENERGY: 427 19598.5316 19595.2898 5707.1504 168.7509 -335498.4314 23074.5006 0.0000 0.0000 44915.2774 -222438.9308 163.3894 -267354.2081 -222048.7336 163.3894 -741.9009 -2207.6354 921491.4634 -741.9009 -2207.6354
ENERGY: 428 20140.4229 19760.4170 5710.4628 168.5259 -336199.9847 23087.7676 0.0000 0.0000 44884.2593 -222448.1293 163.2766 -267332.3886 -222058.0546 163.2766 -935.5732 -2206.9583 921491.4634 -935.5732 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3736 5712.1700 168.1897 -338096.9198 23149.4491 0.0000 0.0000 44626.3098 -222402.4402 162.3382 -267028.7500 -222047.3911 162.3382 -2472.2456 -2268.0464 921491.4634 -2472.2456 -2268.0464
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ENERGY: 432 21768.3702 20188.6723 5710.3547 168.1086 -338651.2096 23176.0844 0.0000 0.0000 45177.9909 -222461.6286 164.3451 -267639.6195 -222065.9059 164.3451 -3350.2741 -2296.1497 921491.4634 -3350.2741 -2296.1497
ENERGY: 433 21200.9070 20275.9663 5710.3763 168.4633 -338164.0632 23162.2909 0.0000 0.0000 45192.9282 -222453.1312 164.3995 -267646.0594 -222052.5983 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3411 20338.1499 5711.6061 169.3247 -337394.2698 23140.7733 0.0000 0.0000 44883.0995 -222420.9752 163.2724 -267304.0747 -222051.1463 163.2724 -2694.3106 -2227.7885 921491.4634 -2694.3106 -2227.7885
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6549 23123.4095 0.0000 0.0000 44675.9836 -222398.7945 162.5189 -267074.7781 -222049.5889 162.5189 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9241 20349.9983 5717.2345 173.0864 -336303.8808 23119.9076 0.0000 0.0000 44847.0981 -222425.6318 163.1414 -267272.7299 -222059.6960 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5093 5720.9893 175.9827 -336411.9782 23136.3866 0.0000 0.0000 45159.2685 -222455.2902 164.2770 -267614.5587 -222050.7504 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4575 23173.5517 0.0000 0.0000 45148.1323 -222459.9375 164.2365 -267608.0698 -222051.5669 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 206.756, 0.458716/step Wall: 206.756, 0.458716/step, 0.00764527 hours remaining, 3224.308594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2370 5729.7527 186.7201 -338123.1804 23276.2484 0.0000 0.0000 44417.5459 -222405.1077 161.5788 -266822.6536 -222059.4771 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5486 19860.0408 5730.3488 190.1145 -338361.1712 23313.2044 0.0000 0.0000 44502.6963 -222409.2177 161.8886 -266911.9141 -222050.0858 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6117 19664.5348 5729.4854 192.9411 -338090.1528 23327.1567 0.0000 0.0000 44880.6319 -222441.7912 163.2634 -267322.4231 -222049.7754 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3314 19487.0722 5727.6164 194.9329 -337369.3144 23320.0157 0.0000 0.0000 45118.1105 -222457.2353 164.1273 -267575.3457 -222048.5994 164.1273 -2448.1646 -2220.3530 921491.4634 -2448.1646 -2220.3530
ENERGY: 444 20449.3361 19357.2690 5725.4095 195.8735 -336464.1917 23301.5275 0.0000 0.0000 44987.7173 -222447.0588 163.6530 -267434.7761 -222057.9798 163.6530 -2090.2098 -2206.4399 921491.4634 -2090.2098 -2206.4399
ENERGY: 445 20125.5607 19307.2517 5723.6513 195.6942 -335759.3909 23283.8138 0.0000 0.0000 44708.7150 -222414.7042 162.6380 -267123.4191 -222046.5428 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6805 19324.9005 5722.5430 194.3235 -335494.5704 23276.0450 0.0000 0.0000 44620.2940 -222408.7839 162.3164 -267029.0779 -222046.1620 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4396 23282.7457 0.0000 0.0000 44816.5083 -222425.8050 163.0301 -267242.3133 -222046.8343 163.0301 -1993.3114 -2253.0603 921491.4634 -1993.3114 -2253.0603
ENERGY: 448 20187.5922 19583.6798 5722.5764 188.5554 -336503.1797 23303.8903 0.0000 0.0000 45065.6670 -222451.2185 163.9365 -267516.8855 -222059.3480 163.9365 -2372.1880 -2303.7899 921491.4634 -2372.1880 -2303.7899
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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 20108.1298 5724.4776 181.0898 -338419.3245 23364.6242 0.0000 0.0000 44854.3092 -222432.2086 163.1676 -267286.5177 -222048.7860 163.1676 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
ENERGY: 451 22355.5902 20357.7254 5724.7144 177.6517 -338952.0903 23381.8006 0.0000 0.0000 44542.6981 -222411.9100 162.0341 -266954.6081 -222048.8245 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2013 20536.0134 5723.8953 174.8859 -338927.1531 23378.0943 0.0000 0.0000 44452.9190 -222415.1439 161.7075 -266868.0629 -222059.6370 161.7075 -2659.9604 -2384.7568 921491.4634 -2659.9604 -2384.7568
ENERGY: 453 21399.8724 20641.1312 5722.2878 173.1350 -338392.7928 23354.5906 0.0000 0.0000 44683.7027 -222418.0729 162.5470 -267101.7757 -222043.5371 162.5470 -2048.3337 -2342.4668 921491.4634 -2048.3337 -2342.4668
ENERGY: 454 20248.3379 20654.1376 5720.2217 172.3637 -337567.1409 23320.6900 0.0000 0.0000 45008.1459 -222443.2441 163.7273 -267451.3899 -222041.8390 163.7273 -1453.4577 -2293.1450 921491.4634 -1453.4577 -2293.1450
ENERGY: 455 19486.7905 20584.7123 5718.4844 172.5169 -336790.6449 23290.4022 0.0000 0.0000 45086.5782 -222451.1602 164.0126 -267537.7385 -222040.8569 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3721 20440.6803 5717.7556 173.4248 -336350.1071 23274.9630 0.0000 0.0000 44811.4721 -222438.4392 163.0118 -267249.9113 -222055.3483 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8162 23277.8273 0.0000 0.0000 44521.8702 -222403.2000 161.9583 -266925.0702 -222049.4130 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8435 20019.2724 5720.7061 176.6081 -336835.0957 23294.7171 0.0000 0.0000 44632.7888 -222405.1597 162.3618 -267037.9484 -222051.2820 162.3618 -2684.6989 -2301.0427 921491.4634 -2684.6989 -2301.0427
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TIMING: 460 CPU: 215.919, 0.458118/step Wall: 215.919, 0.458118/step, 0.0050902 hours remaining, 3224.308594 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 19597.9065 5728.0972 179.4910 -338014.3764 23341.7999 0.0000 0.0000 45423.8566 -222480.6115 165.2395 -267904.4680 -222064.6834 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
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ENERGY: 462 22264.2254 19487.8110 5736.4823 180.9531 -337988.7163 23351.1083 0.0000 0.0000 44559.9291 -222408.2072 162.0968 -266968.1363 -222056.7212 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1789 19513.9017 5738.9361 181.1160 -337284.1020 23326.9474 0.0000 0.0000 44313.4569 -222388.5650 161.2002 -266702.0219 -222054.6240 161.2002 -2012.4423 -2264.0779 921491.4634 -2012.4423 -2264.0779
ENERGY: 464 20535.2459 19559.9273 5739.2518 181.0096 -336389.3832 23291.1937 0.0000 0.0000 44654.0265 -222428.7283 162.4391 -267082.7548 -222058.5728 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7827 19631.8853 5737.2899 180.7155 -335701.1526 23259.7387 0.0000 0.0000 45094.5686 -222474.1718 164.0416 -267568.7405 -222052.9387 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4511 19708.3579 5733.2107 180.2808 -335443.7718 23245.0599 0.0000 0.0000 45020.7909 -222467.6205 163.7733 -267488.4114 -222052.9784 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8070 19783.1739 5727.6704 179.7757 -335721.0944 23249.4524 0.0000 0.0000 44523.6668 -222415.5481 161.9649 -266939.2149 -222054.3494 161.9649 -1393.6032 -2232.5925 921491.4634 -1393.6032 -2232.5925
ENERGY: 468 20761.8483 19845.4938 5721.5090 179.2779 -336451.5659 23265.8120 0.0000 0.0000 44291.6588 -222385.9661 161.1209 -266677.6250 -222056.3589 161.1209 -2508.6718 -2314.1342 921491.4634 -2508.6718 -2314.1342
ENERGY: 469 21236.3017 19910.2018 5715.6824 178.8504 -337458.3194 23284.3956 0.0000 0.0000 44720.3205 -222412.5671 162.6802 -267132.8876 -222046.0748 162.6802 -3596.7410 -2405.7974 921491.4634 -3596.7410 -2405.7974
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 19972.8932 5710.9491 178.5947 -338383.2500 23297.0666 0.0000 0.0000 45346.4576 -222466.1155 164.9579 -267812.5731 -222047.6087 164.9579 -4259.7000 -2477.6833 921491.4634 -4259.7000 -2477.6833
ENERGY: 471 21732.8677 20054.6834 5707.9626 178.5890 -338913.2444 23297.5079 0.0000 0.0000 45471.3369 -222470.2969 165.4122 -267941.6337 -222047.5357 165.4122 -4290.5686 -2504.3178 921491.4634 -4290.5686 -2504.3178
ENERGY: 472 22081.2359 20161.5551 5707.0091 178.9047 -338870.6759 23279.4485 0.0000 0.0000 45028.5298 -222433.9928 163.8014 -267462.5226 -222059.5057 163.8014 -3659.7362 -2479.9186 921491.4634 -3659.7362 -2479.9186
ENERGY: 473 21866.1360 20289.3426 5707.9843 179.6165 -338307.7183 23240.7357 0.0000 0.0000 44634.5175 -222389.3858 162.3681 -267023.9032 -222043.8538 162.3681 -2556.3616 -2408.1659 921491.4634 -2556.3616 -2408.1659
ENERGY: 474 20842.9702 20372.0986 5710.2161 180.7466 -337438.4544 23189.2342 0.0000 0.0000 44733.2307 -222409.9580 162.7272 -267143.1887 -222041.2618 162.7272 -1295.5524 -2316.2730 921491.4634 -1295.5524 -2316.2730
ENERGY: 475 19674.2079 20371.7673 5712.9876 182.2512 -336604.2306 23142.3811 0.0000 0.0000 45070.2140 -222450.4215 163.9531 -267520.6354 -222039.4528 163.9531 -344.6449 -2232.2128 921491.4634 -344.6449 -2232.2128
ENERGY: 476 19235.7862 20282.0273 5715.7683 184.0125 -336100.0899 23115.8460 0.0000 0.0000 45106.0635 -222460.5860 164.0835 -267566.6495 -222053.6137 164.0835 -92.4051 -2183.0655 921491.4634 -92.4051 -2183.0655
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8786 23114.2933 0.0000 0.0000 44812.3210 -222420.1374 163.0149 -267232.4584 -222044.8410 163.0149 -667.4949 -2171.8231 921491.4634 -667.4949 -2171.8231
ENERGY: 478 20493.4779 19974.7637 5721.0254 187.7262 -336537.4033 23131.2454 0.0000 0.0000 44627.0333 -222402.1314 162.3409 -267029.1647 -222047.4106 162.3409 -1807.1609 -2198.7958 921491.4634 -1807.1609 -2198.7958
ENERGY: 479 21125.3061 19793.3955 5723.3295 189.2099 -337215.5834 23156.6766 0.0000 0.0000 44802.1576 -222425.5082 162.9779 -267227.6658 -222050.5459 162.9779 -3089.8521 -2246.7920 921491.4634 -3089.8521 -2246.7920
TIMING: 480 CPU: 225.072, 0.45769/step Wall: 225.072, 0.45769/step, 0.00254272 hours remaining, 3224.308594 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 21624.0330 19623.1964 5725.3111 190.1901 -337854.6777 23181.5112 0.0000 0.0000 45051.6811 -222458.7548 163.8856 -267510.4359 -222064.6208 163.8856 -4077.7331 -2291.4894 921491.4634 -4077.7331 -2291.4894
ENERGY: 481 22092.4854 19510.0434 5727.0953 190.6351 -338199.2470 23196.7953 0.0000 0.0000 45041.3364 -222440.8561 163.8480 -267482.1925 -222052.5264 163.8480 -4466.2396 -2305.6735 921491.4634 -4466.2396 -2305.6735
ENERGY: 482 22186.3464 19466.6795 5728.4964 190.3598 -338044.5404 23192.7469 0.0000 0.0000 44865.8515 -222414.0598 163.2096 -267279.9114 -222051.4111 163.2096 -4059.3098 -2278.0617 921491.4634 -4059.3098 -2278.0617
ENERGY: 483 21553.1409 19511.5746 5729.5661 189.3227 -337426.2169 23165.8735 0.0000 0.0000 44861.8964 -222414.8428 163.1952 -267276.7392 -222048.7670 163.1952 -2964.1721 -2216.4118 921491.4634 -2964.1721 -2216.4118
ENERGY: 484 20460.8922 19631.1939 5730.2465 187.5455 -336590.8868 23126.1346 0.0000 0.0000 45003.6027 -222451.2714 163.7107 -267454.8741 -222059.8739 163.7107 -1565.2423 -2143.1851 921491.4634 -1565.2423 -2143.1851
ENERGY: 485 19688.7718 19800.2990 5730.5256 185.2458 -335902.5851 23092.8466 0.0000 0.0000 44955.5721 -222449.3243 163.5360 -267404.8963 -222045.9603 163.5360 -422.1568 -2086.8737 921491.4634 -422.1568 -2086.8737
ENERGY: 486 19602.5426 19954.8174 5729.7198 182.4662 -335612.3556 23080.3803 0.0000 0.0000 44645.9114 -222416.5179 162.4096 -267062.4293 -222044.6757 162.4096 87.3180 -2070.0984 921491.4634 87.3180 -2070.0984
ENERGY: 487 19881.0925 20072.0210 5727.4348 179.4360 -335846.4473 23091.0540 0.0000 0.0000 44503.3493 -222392.0597 161.8910 -266895.4090 -222045.2404 161.8910 -192.2349 -2106.8842 921491.4634 -192.2349 -2106.8842
ENERGY: 488 20125.2101 20156.1359 5723.5441 176.4338 -336552.5448 23118.8613 0.0000 0.0000 44827.0556 -222425.3040 163.0685 -267252.3597 -222057.1938 163.0685 -1145.7539 -2194.6682 921491.4634 -1145.7539 -2194.6682
ENERGY: 489 20526.8876 20236.4608 5718.5749 173.8639 -337540.4654 23156.7307 0.0000 0.0000 45266.1003 -222461.8473 164.6656 -267727.9475 -222045.6085 164.6656 -2511.2411 -2316.7069 921491.4634 -2511.2411 -2316.7069
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7493 20292.9022 5712.8912 171.8438 -338458.1360 23196.4875 0.0000 0.0000 45213.5628 -222459.6993 164.4745 -267673.2620 -222048.2207 164.4745 -3823.4043 -2437.4157 921491.4634 -3823.4043 -2437.4157
ENERGY: 491 22430.4641 20312.1361 5707.3795 170.5404 -338984.5793 23226.0935 0.0000 0.0000 44733.0089 -222404.9568 162.7264 -267137.9657 -222049.4638 162.7264 -4629.6937 -2524.6217 921491.4634 -4629.6937 -2524.6217
ENERGY: 492 22612.9545 20289.6812 5702.9944 170.0208 -338937.5813 23232.7203 0.0000 0.0000 44542.1952 -222387.0149 162.0323 -266929.2101 -222060.3858 162.0323 -4606.8524 -2557.4731 921491.4634 -4606.8524 -2557.4731
ENERGY: 493 21558.2185 20260.7375 5700.7779 170.3200 -338358.0630 23214.0535 0.0000 0.0000 45033.8231 -222420.1324 163.8207 -267453.9555 -222046.5899 163.8207 -3796.3817 -2540.0997 921491.4634 -3796.3817 -2540.0997
ENERGY: 494 20068.3364 20225.0262 5700.9806 171.2193 -337454.3831 23183.0793 0.0000 0.0000 45622.2476 -222483.4937 165.9612 -268105.7413 -222044.0866 165.9612 -2500.8990 -2482.1069 921491.4634 -2500.8990 -2482.1069
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9883 23159.4623 0.0000 0.0000 45484.1232 -222477.1923 165.4587 -267961.3155 -222041.5562 165.4587 -1249.6836 -2407.3056 921491.4634 -1249.6836 -2407.3056
ENERGY: 496 19722.4833 20130.6473 5708.0350 174.0933 -335998.7156 23154.2634 0.0000 0.0000 44699.5272 -222409.6661 162.6046 -267109.1932 -222049.0671 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6668 20059.9176 5713.4613 175.7242 -335952.5043 23166.3544 0.0000 0.0000 44261.0289 -222363.3511 161.0095 -266624.3800 -222042.7501 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0167 19957.1215 5718.5597 177.2604 -336366.4934 23189.3584 0.0000 0.0000 44728.2533 -222413.9234 162.7091 -267142.1767 -222044.5220 162.7091 -993.4683 -2331.6474 921491.4634 -993.4683 -2331.6474
ENERGY: 499 20158.0682 19847.7309 5722.4089 178.6361 -337058.4823 23219.2403 0.0000 0.0000 45439.2639 -222493.1340 165.2956 -267932.3979 -222047.2063 165.2956 -2020.8692 -2376.3391 921491.4634 -2020.8692 -2376.3391
Info: Benchmark time: 4 CPUs 0.457532 s/step 5.2955 days/ns 3224.31 MB memory
TIMING: 500 CPU: 234.154, 0.454104/step Wall: 234.154, 0.454104/step, 0 hours remaining, 3224.308594 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 19756.6584 5724.4523 179.8271 -337741.4187 23251.1008 0.0000 0.0000 45359.0771 -222495.4091 165.0039 -267854.4862 -222061.0909 165.0039 -3197.5171 -2425.4143 921491.4634 -3197.5171 -2425.4143
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, 3229.562 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.562 MB of memory in use
====================================================
WallClock: 246.239105 CPUTime: 246.239090 Memory: 3229.562500 MB
[Partition 0][Node 0] End of program
Application 110158421 resources: utime ~957s, stime ~25s, Rss ~127016, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=246.239105
CPU=246.239090
MEM=3229.562500
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins10481330506715503635.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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