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 ============== 54.2728
LDB: Largest compute 200 load 0.429692 is 1.2% of average load 36.787007
LDB: Average compute 0.051526 is 0.1% of average load 36.787007
LDB: Partitioning computes with target load 3.678701
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055736
LDB: ============== END OF LOAD BALANCING =============== 54.2749
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2757
Info: Initial time: 4 CPUs 0.47422 s/step 5.48866 days/ns 3221.62 MB memory
TIMING: 100 CPU: 48.3975, 0.473274/step Wall: 48.3975, 0.473274/step, 0.052586 hours remaining, 3221.621094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.722
LDB: ============== END OF LOAD BALANCING =============== 63.722
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7225
TIMING: 120 CPU: 57.8432, 0.472286/step Wall: 57.8432, 0.472286/step, 0.0498524 hours remaining, 3221.894531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2804, 0.471857/step Wall: 67.2804, 0.471857/step, 0.0471857 hours remaining, 3222.062500 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: 76.7059, 0.471277/step Wall: 76.7059, 0.471277/step, 0.0445095 hours remaining, 3222.230469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2842 18859.3046 5717.0749 174.4915 -333735.9153 20833.5471 0.0000 0.0000 44515.8596 -222542.3533 161.9365 -267058.2129 -222175.6787 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
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ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5171 -222161.4907 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8656 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7467 -222160.7802 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 -333382.4926 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1567 -222149.7707 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 19195.1040 18891.7629 5743.5896 160.0071 -332124.2130 20943.2095 0.0000 0.0000 44722.5119 -222468.0279 162.6882 -267190.5399 -222127.3371 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1370 -222126.1323 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.1222, 0.470814/step Wall: 86.1222, 0.470814/step, 0.0418502 hours remaining, 3222.371094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4734 -2731.4264 921491.4634 -2596.4734 -2731.4264
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1130 21076.9265 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3654 -222242.4587 154.8738 -264816.8241 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4997 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.417
LDB: Largest compute 200 load 0.424959 is 1.2% of average load 36.599688
LDB: Average compute 0.051265 is 0.1% of average load 36.599688
LDB: TIME 101.419 LOAD: AVG 36.5997 MAX 37.6942 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.68 MB
LDB: TIME 101.421 LOAD: AVG 36.5997 MAX 37.5091 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.68 MB
LDB: ============== END OF LOAD BALANCING =============== 101.423
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.426
Info: Initial time: 4 CPUs 0.47133 s/step 5.45521 days/ns 3223.34 MB memory
TIMING: 200 CPU: 95.5404, 0.47091/step Wall: 95.5404, 0.47091/step, 0.0392425 hours remaining, 3223.339844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6348 5711.8747 190.0258 -334670.2809 21209.9248 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8523 -2703.6812 921491.4634 -5241.8523 -2703.6812
ENERGY: 201 23380.1029 18674.3332 5716.2802 191.4189 -334751.7130 21239.1341 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1079 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8115 18850.8449 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5588 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0517 -2588.0013 921491.4634 -3005.0517 -2588.0013
ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2199 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0792 19868.9415 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7147 -222526.2117 162.5725 -267216.9264 -222099.8060 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8903 20170.9987 5732.9811 187.6404 -332716.3434 21241.8391 0.0000 0.0000 42439.0583 -222274.9356 154.3816 -264713.9939 -222100.3397 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9791 21289.9001 0.0000 0.0000 42143.6913 -222226.4459 153.3072 -264370.1372 -222103.0932 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6270 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0618 -222106.7901 168.3309 -5197.7272 -2836.6306 921491.4634 -5197.7272 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2568 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8666 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5057 19441.9743 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6744 -222527.8918 164.7987 -267830.5662 -222091.0448 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4719 19522.5062 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6156 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.946, 0.470296/step Wall: 104.946, 0.470296/step, 0.0365786 hours remaining, 3223.339844 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: 114.344, 0.469892/step Wall: 114.344, 0.469892/step, 0.0339366 hours remaining, 3223.339844 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 20111.8210 5758.5348 169.0441 -335904.8195 21831.0567 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6011 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7772 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2369 19811.7600 5725.7784 171.4559 -334087.5948 21701.2470 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1165 -222068.6367 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7025 5716.8932 174.1558 -334213.1208 21705.0850 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7362 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1844 21719.8454 0.0000 0.0000 44912.1913 -222431.6938 163.3782 -267343.8851 -222068.1395 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9039 20013.1598 5733.2541 193.8023 -336093.2673 21826.9295 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8636 19667.1120 5729.5496 195.2411 -334977.1804 21784.0536 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3604 -222082.7206 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
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ENERGY: 255 20324.2312 19109.4100 5707.6062 196.0621 -333099.9232 21746.1514 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5470 -222428.4890 161.8371 -266917.0360 -222060.1683 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.736, 0.469589/step Wall: 123.736, 0.469589/step, 0.0313059 hours remaining, 3223.718750 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 5675.1875 191.0393 -336169.7728 21924.7892 0.0000 0.0000 44083.4305 -222362.1256 160.3634 -266445.5561 -222069.6812 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2722 19814.6778 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4507 -222052.4322 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
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ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4392 -334395.6632 21906.0162 0.0000 0.0000 43607.6375 -222352.1119 158.6326 -265959.7494 -222054.3370 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3798 -222348.1911 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2170 -222446.1645 160.8610 -266666.3814 -222055.6583 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7451 21959.1256 0.0000 0.0000 44823.5377 -222504.2925 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9166 5690.3173 187.1618 -336650.6774 22028.8069 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5821 19078.8064 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4474 -222406.5212 163.0772 -267235.9686 -222066.8387 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5582 18896.0660 5692.8269 184.9335 -335921.4610 22015.0579 0.0000 0.0000 45607.7078 -222503.3108 165.9083 -268111.0186 -222081.1569 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2135 18932.9078 5697.5118 183.8526 -334925.7007 21985.5295 0.0000 0.0000 45502.7163 -222499.9693 165.5264 -268002.6855 -222069.0456 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0408 0.0000 0.0000 44028.5273 -222412.2138 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8113 -222481.8216 162.3619 -267114.6329 -222061.0986 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1003 22041.3357 0.0000 0.0000 44532.2541 -222463.7059 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3651 19593.9432 5677.5176 184.5187 -335888.5800 22096.4197 0.0000 0.0000 43975.0880 -222376.7277 159.9693 -266351.8157 -222065.2021 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 133.119, 0.469161/step Wall: 133.119, 0.469161/step, 0.0286709 hours remaining, 3223.718750 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 19615.5380 5669.9796 186.8360 -336942.5033 22176.7653 0.0000 0.0000 45823.3373 -222526.2576 166.6927 -268349.5949 -222063.3314 166.6927 -2992.3270 -2779.3669 921491.4634 -2992.3270 -2779.3669
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9200 22171.0647 0.0000 0.0000 45328.8522 -222487.2585 164.8939 -267816.1108 -222060.8458 164.8939 -2008.7735 -2748.2307 921491.4634 -2008.7735 -2748.2307
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ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8229 -334658.1149 22176.6861 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9439 -222485.6058 161.0892 -266768.5497 -222055.7252 161.0892 -2148.9614 -2753.3345 921491.4634 -2148.9614 -2753.3345
ENERGY: 288 20263.2090 20475.2851 5736.9557 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2279 -222066.9051 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.398
LDB: Largest compute 200 load 0.518470 is 1.1% of average load 45.742583
LDB: Average compute 0.064059 is 0.1% of average load 45.742583
LDB: TIME 148.4 LOAD: AVG 45.7426 MAX 46.9645 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.15 MB
LDB: TIME 148.401 LOAD: AVG 45.7426 MAX 46.9645 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.15 MB
LDB: TIME 148.417 LOAD: AVG 45.7426 MAX 46.2498 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.15 MB
LDB: ============== END OF LOAD BALANCING =============== 148.418
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.419
Info: Initial time: 4 CPUs 0.469454 s/step 5.43349 days/ns 3224.15 MB memory
TIMING: 300 CPU: 142.507, 0.469389/step Wall: 142.507, 0.469389/step, 0.0260772 hours remaining, 3224.148438 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: 151.723, 0.460792/step Wall: 151.723, 0.460792/step, 0.0230396 hours remaining, 3224.148438 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: 160.934, 0.460555/step Wall: 160.934, 0.460555/step, 0.0204691 hours remaining, 3224.148438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.139, 0.460254/step Wall: 170.139, 0.460254/step, 0.0178988 hours remaining, 3224.148438 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 20646.4612 20251.1598 5706.5522 182.3249 -335763.5837 22794.3791 0.0000 0.0000 43848.2765 -222334.4302 159.5080 -266182.7067 -222041.4012 159.5080 -1819.5854 -2472.4981 921491.4634 -1819.5854 -2472.4981
ENERGY: 378 20473.8101 20495.6600 5711.4639 183.2952 -336584.2314 22821.5856 0.0000 0.0000 44474.7546 -222423.6620 161.7869 -266898.4166 -222044.3967 161.7869 -2972.9868 -2523.3493 921491.4634 -2972.9868 -2523.3493
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TIMING: 380 CPU: 179.337, 0.459883/step Wall: 179.337, 0.459883/step, 0.0153294 hours remaining, 3224.148438 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 19596.0349 5710.5350 179.0647 -336052.0505 22884.2560 0.0000 0.0000 45539.1831 -222517.5657 165.6590 -268056.7488 -222062.0924 165.6590 -569.2370 -2166.9348 921491.4634 -569.2370 -2166.9348
ENERGY: 385 19327.8180 19356.8906 5707.7752 177.4354 -335210.6418 22871.6171 0.0000 0.0000 45299.7167 -222469.3888 164.7879 -267769.1055 -222051.0992 164.7879 215.3523 -2064.3626 921491.4634 215.3523 -2064.3626
ENERGY: 386 19981.2274 19220.9459 5707.6638 175.9384 -334865.1834 22880.7986 0.0000 0.0000 44519.8580 -222378.7514 161.9510 -266898.6094 -222051.0436 161.9510 122.6678 -2011.2417 921491.4634 122.6678 -2011.2417
ENERGY: 387 20367.2861 19202.4839 5710.9355 174.6759 -335109.8743 22905.2773 0.0000 0.0000 44377.1808 -222372.0348 161.4320 -266749.2156 -222053.0049 161.4320 -738.9576 -2019.1677 921491.4634 -738.9576 -2019.1677
ENERGY: 388 20282.3987 19280.0165 5717.2935 173.7038 -335824.1537 22938.2930 0.0000 0.0000 44972.7753 -222459.6729 163.5986 -267432.4482 -222067.4815 163.5986 -2063.8543 -2076.2810 921491.4634 -2063.8543 -2076.2810
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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 19692.8119 20133.3597 5716.9814 176.0456 -336812.3411 23014.0620 0.0000 0.0000 45592.7311 -222486.3494 165.8538 -268079.0805 -222045.7220 165.8538 -1710.2227 -2443.6954 921491.4634 -1710.2227 -2443.6954
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LDB: ============= START OF LOAD BALANCING ============== 194.453
LDB: Largest compute 230 load 0.526851 is 1.2% of average load 45.620620
LDB: Average compute 0.063879 is 0.1% of average load 45.620620
LDB: TIME 194.455 LOAD: AVG 45.6206 MAX 46.0335 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.15 MB
LDB: TIME 194.455 LOAD: AVG 45.6206 MAX 46.0335 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.15 MB
LDB: TIME 194.455 LOAD: AVG 45.6206 MAX 46.0335 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.15 MB
LDB: ============== END OF LOAD BALANCING =============== 194.456
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.457
Info: Benchmark time: 4 CPUs 0.460269 s/step 5.32719 days/ns 3224.15 MB memory
TIMING: 400 CPU: 188.538, 0.460065/step Wall: 188.538, 0.460065/step, 0.0127796 hours remaining, 3224.148438 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 22444.0479 19835.9104 5715.8942 173.8391 -338107.6298 23109.6409 0.0000 0.0000 44436.8081 -222391.4892 161.6489 -266828.2973 -222049.2228 161.6489 -4939.3783 -2681.7015 921491.4634 -4939.3783 -2681.7015
ENERGY: 403 20784.9693 19778.4821 5715.7218 174.2695 -337239.9792 23077.8431 0.0000 0.0000 45225.5947 -222483.0986 164.5183 -267708.6933 -222046.6856 164.5183 -3613.5967 -2605.7419 921491.4634 -3613.5967 -2605.7419
ENERGY: 404 19687.5951 19735.4020 5713.8114 175.5084 -336169.1142 23038.2928 0.0000 0.0000 45313.8379 -222504.6666 164.8393 -267818.5045 -222060.2368 164.8393 -1967.0736 -2494.0428 921491.4634 -1967.0736 -2494.0428
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ENERGY: 408 19735.8472 19387.6635 5692.2152 187.5226 -335902.8228 23017.8193 0.0000 0.0000 45394.4117 -222487.3433 165.1324 -267881.7550 -222063.5312 165.1324 -920.8277 -2294.1550 921491.4634 -920.8277 -2294.1550
ENERGY: 409 20350.1188 19376.4601 5688.4775 191.1593 -336896.6859 23057.9939 0.0000 0.0000 45733.6059 -222498.8704 166.3663 -268232.4763 -222051.6705 166.3663 -2367.4915 -2346.9320 921491.4634 -2367.4915 -2346.9320
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 21130.1418 20138.5254 5699.9334 199.7191 -337872.5346 23125.1122 0.0000 0.0000 45113.2156 -222465.8871 164.1095 -267579.1027 -222055.3454 164.1095 -3850.6269 -2398.9550 921491.4634 -3850.6269 -2398.9550
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ENERGY: 415 19745.2669 20572.1265 5708.7452 198.1487 -336456.2001 23071.1992 0.0000 0.0000 44733.2290 -222427.4846 162.7272 -267160.7136 -222049.0347 162.7272 -1174.6456 -2266.5618 921491.4634 -1174.6456 -2266.5618
ENERGY: 416 19942.3173 20661.9902 5710.0857 195.6954 -336157.5886 23063.1712 0.0000 0.0000 44200.2867 -222384.0421 160.7885 -266584.3288 -222052.9644 160.7885 -282.7618 -2224.6900 921491.4634 -282.7618 -2224.6900
ENERGY: 417 20031.3752 20631.3213 5709.0494 192.4696 -336373.1094 23072.1093 0.0000 0.0000 44338.4637 -222398.3209 161.2911 -266736.7846 -222044.6993 161.2911 -112.4558 -2227.1703 921491.4634 -112.4558 -2227.1703
ENERGY: 418 20154.6650 20457.0911 5705.5848 188.6536 -336970.7880 23098.6718 0.0000 0.0000 44915.1439 -222450.9778 163.3889 -267366.1217 -222046.7092 163.3889 -671.8551 -2269.9926 921491.4634 -671.8551 -2269.9926
ENERGY: 419 20790.7633 20185.5523 5700.4811 184.6055 -337717.8760 23139.8012 0.0000 0.0000 45250.3114 -222466.3613 164.6082 -267716.6727 -222049.5950 164.6082 -1783.9427 -2336.6469 921491.4634 -1783.9427 -2336.6469
TIMING: 420 CPU: 197.711, 0.458677/step Wall: 197.711, 0.458676/step, 0.0101928 hours remaining, 3224.148438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5314 19595.2887 5707.1505 168.7509 -335498.4277 23074.4983 0.0000 0.0000 44915.2770 -222438.9309 163.3894 -267354.2079 -222048.7337 163.3894 -741.9016 -2207.6361 921491.4634 -741.9016 -2207.6361
ENERGY: 428 20140.4227 19760.4163 5710.4629 168.5259 -336199.9814 23087.7653 0.0000 0.0000 44884.2589 -222448.1296 163.2766 -267332.3884 -222058.0548 163.2766 -935.5738 -2206.9590 921491.4634 -935.5738 -2206.9590
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3702 20188.6731 5710.3547 168.1086 -338651.2076 23176.0821 0.0000 0.0000 45177.9905 -222461.6284 164.3451 -267639.6189 -222065.9057 164.3451 -3350.2748 -2296.1504 921491.4634 -3350.2748 -2296.1504
ENERGY: 433 21200.9068 20275.9672 5710.3763 168.4633 -338164.0614 23162.2886 0.0000 0.0000 45192.9281 -222453.1310 164.3995 -267646.0592 -222052.5981 164.3995 -3187.3739 -2272.1283 921491.4634 -3187.3739 -2272.1283
ENERGY: 434 20730.3409 20338.1508 5711.6061 169.3247 -337394.2681 23140.7711 0.0000 0.0000 44883.0995 -222420.9751 163.2724 -267304.0746 -222051.1462 163.2724 -2694.3114 -2227.7891 921491.4634 -2694.3114 -2227.7891
ENERGY: 435 20235.2199 20362.4023 5714.0003 170.8455 -336680.6532 23123.4073 0.0000 0.0000 44675.9835 -222398.7943 162.5189 -267074.7778 -222049.5888 162.5189 -2061.3589 -2179.8958 921491.4634 -2061.3589 -2179.8958
ENERGY: 436 19670.9241 20349.9989 5717.2346 173.0864 -336303.8790 23119.9054 0.0000 0.0000 44847.0978 -222425.6317 163.1414 -267272.7295 -222059.6959 163.1414 -1520.6605 -2145.1624 921491.4634 -1520.6605 -2145.1624
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ENERGY: 438 19935.1532 20278.6100 5724.6884 179.3848 -336899.4553 23173.5497 0.0000 0.0000 45148.1317 -222459.9374 164.2365 -267608.0691 -222051.5668 164.2365 -1493.0948 -2145.0887 921491.4634 -1493.0948 -2145.0887
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TIMING: 440 CPU: 206.88, 0.45845/step Wall: 206.88, 0.45845/step, 0.00764084 hours remaining, 3224.148438 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 22071.5686 20036.2370 5729.7527 186.7201 -338123.1780 23276.2468 0.0000 0.0000 44417.5449 -222405.1080 161.5788 -266822.6529 -222059.4774 161.5788 -2408.4617 -2197.9676 921491.4634 -2408.4617 -2197.9676
ENERGY: 441 22355.5486 19860.0403 5730.3488 190.1145 -338361.1685 23313.2028 0.0000 0.0000 44502.6955 -222409.2180 161.8886 -266911.9135 -222050.0861 161.8886 -2716.1030 -2221.5316 921491.4634 -2716.1030 -2221.5316
ENERGY: 442 21853.6114 19664.5340 5729.4855 192.9411 -338090.1500 23327.1552 0.0000 0.0000 44880.6314 -222441.7915 163.2634 -267322.4228 -222049.7756 163.2634 -2710.5577 -2229.0698 921491.4634 -2710.5577 -2229.0698
ENERGY: 443 21064.3310 19487.0711 5727.6165 194.9329 -337369.3117 23320.0143 0.0000 0.0000 45118.1103 -222457.2355 164.1273 -267575.3459 -222048.5997 164.1273 -2448.1649 -2220.3533 921491.4634 -2448.1649 -2220.3533
ENERGY: 444 20449.3359 19357.2678 5725.4095 195.8735 -336464.1890 23301.5261 0.0000 0.0000 44987.7174 -222447.0587 163.6530 -267434.7762 -222057.9797 163.6530 -2090.2101 -2206.4402 921491.4634 -2090.2101 -2206.4402
ENERGY: 445 20125.5606 19307.2507 5723.6513 195.6942 -335759.3887 23283.8124 0.0000 0.0000 44708.7153 -222414.7041 162.6380 -267123.4194 -222046.5427 162.6380 -1846.9629 -2201.6928 921491.4634 -1846.9629 -2201.6928
ENERGY: 446 19947.6805 19324.8998 5722.5430 194.3235 -335494.5689 23276.0437 0.0000 0.0000 44620.2946 -222408.7838 162.3164 -267029.0784 -222046.1619 162.3164 -1800.7522 -2216.7297 921491.4634 -1800.7522 -2216.7297
ENERGY: 447 19914.2850 19416.0208 5722.2107 191.8641 -335769.4391 23282.7445 0.0000 0.0000 44816.5091 -222425.8049 163.0301 -267242.3140 -222046.8342 163.0301 -1993.3118 -2253.0607 921491.4634 -1993.3118 -2253.0607
ENERGY: 448 20187.5924 19583.6803 5722.5765 188.5554 -336503.1798 23303.8892 0.0000 0.0000 45065.6679 -222451.2180 163.9365 -267516.8859 -222059.3476 163.9365 -2372.1883 -2303.7901 921491.4634 -2372.1883 -2303.7901
ENERGY: 449 20877.4063 19832.6994 5723.5713 184.8596 -337500.9077 23334.5913 0.0000 0.0000 45101.1685 -222446.6114 164.0657 -267547.7799 -222047.7094 164.0657 -2827.1086 -2356.1410 921491.4634 -2827.1086 -2356.1410
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4856 20108.1311 5724.4776 181.0897 -338419.3262 23364.6234 0.0000 0.0000 44854.3107 -222432.2081 163.1677 -267286.5188 -222048.7856 163.1677 -3116.6760 -2394.3899 921491.4634 -3116.6760 -2394.3899
ENERGY: 451 22355.5902 20357.7267 5724.7144 177.6517 -338952.0926 23381.7999 0.0000 0.0000 44542.7002 -222411.9096 162.0341 -266954.6098 -222048.8241 162.0341 -3074.2535 -2405.7801 921491.4634 -3074.2535 -2405.7801
ENERGY: 452 22246.2012 20536.0145 5723.8953 174.8859 -338927.1563 23378.0937 0.0000 0.0000 44452.9216 -222415.1439 161.7075 -266868.0656 -222059.6370 161.7075 -2659.9608 -2384.7572 921491.4634 -2659.9608 -2384.7572
ENERGY: 453 21399.8725 20641.1321 5722.2879 173.1350 -338392.7962 23354.5902 0.0000 0.0000 44683.7056 -222418.0730 162.5470 -267101.7786 -222043.5371 162.5470 -2048.3340 -2342.4672 921491.4634 -2048.3340 -2342.4672
ENERGY: 454 20248.3383 20654.1381 5720.2217 172.3637 -337567.1445 23320.6898 0.0000 0.0000 45008.1487 -222443.2441 163.7273 -267451.3929 -222041.8391 163.7273 -1453.4581 -2293.1453 921491.4634 -1453.4581 -2293.1453
ENERGY: 455 19486.7911 20584.7126 5718.4844 172.5169 -336790.6483 23290.4022 0.0000 0.0000 45086.5808 -222451.1603 164.0126 -267537.7411 -222040.8569 164.0126 -1151.8827 -2255.8574 921491.4634 -1151.8827 -2255.8574
ENERGY: 456 19493.3727 20440.6805 5717.7556 173.4248 -336350.1105 23274.9632 0.0000 0.0000 44811.4742 -222438.4395 163.0118 -267249.9137 -222055.3485 163.0118 -1305.5008 -2245.5825 921491.4634 -1305.5008 -2245.5825
ENERGY: 457 20047.4935 20251.9438 5718.5580 174.9241 -336395.8189 23277.8277 0.0000 0.0000 44521.8717 -222403.2002 161.9583 -266925.0719 -222049.4132 161.9583 -1906.4168 -2263.5013 921491.4634 -1906.4168 -2263.5013
ENERGY: 458 20585.8440 20019.2725 5720.7061 176.6081 -336835.0976 23294.7177 0.0000 0.0000 44632.7894 -222405.1599 162.3618 -267037.9493 -222051.2822 162.3618 -2684.6989 -2301.0426 921491.4634 -2684.6989 -2301.0426
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TIMING: 460 CPU: 216.046, 0.458285/step Wall: 216.046, 0.458285/step, 0.00509205 hours remaining, 3224.148438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2249 19487.8097 5736.4823 180.9531 -337988.7154 23351.1098 0.0000 0.0000 44559.9285 -222408.2071 162.0968 -266968.1356 -222056.7210 162.0968 -2954.8191 -2323.4245 921491.4634 -2954.8191 -2323.4245
ENERGY: 463 21821.1787 19513.9000 5738.9361 181.1160 -337284.1012 23326.9492 0.0000 0.0000 44313.4563 -222388.5649 161.2002 -266702.0212 -222054.6238 161.2002 -2012.4415 -2264.0771 921491.4634 -2012.4415 -2264.0771
ENERGY: 464 20535.2460 19559.9255 5739.2518 181.0096 -336389.3830 23291.1959 0.0000 0.0000 44654.0258 -222428.7283 162.4391 -267082.7542 -222058.5728 162.4391 -1050.9219 -2205.5262 921491.4634 -1050.9219 -2205.5262
ENERGY: 465 19322.7829 19631.8838 5737.2899 180.7155 -335701.1529 23259.7411 0.0000 0.0000 45094.5680 -222474.1718 164.0416 -267568.7398 -222052.9386 164.0416 -512.3340 -2174.4001 921491.4634 -512.3340 -2174.4001
ENERGY: 466 19088.4513 19708.3568 5733.2107 180.2808 -335443.7728 23245.0626 0.0000 0.0000 45020.7901 -222467.6205 163.7733 -267488.4106 -222052.9783 163.7733 -630.3309 -2182.6703 921491.4634 -630.3309 -2182.6703
ENERGY: 467 19841.8074 19783.1733 5727.6704 179.7757 -335721.0960 23249.4554 0.0000 0.0000 44523.6657 -222415.5481 161.9649 -266939.2138 -222054.3493 161.9649 -1393.6026 -2232.5916 921491.4634 -1393.6026 -2232.5916
ENERGY: 468 20761.8487 19845.4938 5721.5090 179.2779 -336451.5682 23265.8153 0.0000 0.0000 44291.6574 -222385.9662 161.1209 -266677.6236 -222056.3590 161.1209 -2508.6709 -2314.1332 921491.4634 -2508.6709 -2314.1332
ENERGY: 469 21236.3020 19910.2022 5715.6824 178.8504 -337458.3222 23284.3991 0.0000 0.0000 44720.3189 -222412.5672 162.6802 -267132.8861 -222046.0749 162.6802 -3596.7399 -2405.7963 921491.4634 -3596.7399 -2405.7963
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 19972.8938 5710.9491 178.5947 -338383.2532 23297.0705 0.0000 0.0000 45346.4564 -222466.1156 164.9579 -267812.5719 -222047.6088 164.9579 -4259.6986 -2477.6822 921491.4634 -4259.6986 -2477.6822
ENERGY: 471 21732.8673 20054.6840 5707.9626 178.5890 -338913.2480 23297.5120 0.0000 0.0000 45471.3359 -222470.2970 165.4122 -267941.6329 -222047.5359 165.4122 -4290.5671 -2504.3165 921491.4634 -4290.5671 -2504.3165
ENERGY: 472 22081.2357 20161.5557 5707.0091 178.9047 -338870.6798 23279.4529 0.0000 0.0000 45028.5290 -222433.9928 163.8014 -267462.5218 -222059.5056 163.8014 -3659.7346 -2479.9173 921491.4634 -3659.7346 -2479.9173
ENERGY: 473 21866.1361 20289.3431 5707.9843 179.6165 -338307.7226 23240.7403 0.0000 0.0000 44634.5165 -222389.3857 162.3681 -267023.9023 -222043.8538 162.3681 -2556.3601 -2408.1646 921491.4634 -2556.3601 -2408.1646
ENERGY: 474 20842.9707 20372.0991 5710.2161 180.7466 -337438.4591 23189.2390 0.0000 0.0000 44733.2296 -222409.9580 162.7272 -267143.1876 -222041.2618 162.7272 -1295.5511 -2316.2716 921491.4634 -1295.5511 -2316.2716
ENERGY: 475 19674.2084 20371.7679 5712.9876 182.2512 -336604.2352 23142.3861 0.0000 0.0000 45070.2127 -222450.4214 163.9530 -267520.6341 -222039.4528 163.9530 -344.6437 -2232.2113 921491.4634 -344.6437 -2232.2113
ENERGY: 476 19235.7864 20282.0279 5715.7683 184.0125 -336100.0942 23115.8511 0.0000 0.0000 45106.0620 -222460.5860 164.0835 -267566.6480 -222053.6136 164.0835 -92.4040 -2183.0640 921491.4634 -92.4040 -2183.0640
ENERGY: 477 19704.7251 20145.9817 5718.4976 185.9230 -336101.8822 23114.2983 0.0000 0.0000 44812.3190 -222420.1373 163.0149 -267232.4564 -222044.8410 163.0149 -667.4936 -2171.8215 921491.4634 -667.4936 -2171.8215
ENERGY: 478 20493.4778 19974.7641 5721.0254 187.7262 -336537.4060 23131.2503 0.0000 0.0000 44627.0309 -222402.1313 162.3409 -267029.1622 -222047.4105 162.3409 -1807.1593 -2198.7942 921491.4634 -1807.1593 -2198.7942
ENERGY: 479 21125.3059 19793.3956 5723.3295 189.2099 -337215.5853 23156.6814 0.0000 0.0000 44802.1550 -222425.5081 162.9779 -267227.6631 -222050.5459 162.9779 -3089.8503 -2246.7903 921491.4634 -3089.8503 -2246.7903
TIMING: 480 CPU: 225.207, 0.458028/step Wall: 225.207, 0.458028/step, 0.0025446 hours remaining, 3224.148438 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 21624.0324 19623.1960 5725.3111 190.1901 -337854.6789 23181.5159 0.0000 0.0000 45051.6787 -222458.7547 163.8856 -267510.4334 -222064.6207 163.8856 -4077.7311 -2291.4878 921491.4634 -4077.7311 -2291.4878
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ENERGY: 482 22186.3460 19466.6781 5728.4964 190.3598 -338044.5412 23192.7513 0.0000 0.0000 44865.8498 -222414.0598 163.2096 -267279.9096 -222051.4110 163.2096 -4059.3080 -2278.0601 921491.4634 -4059.3080 -2278.0601
ENERGY: 483 21553.1410 19511.5730 5729.5660 189.3227 -337426.2179 23165.8777 0.0000 0.0000 44861.8948 -222414.8427 163.1952 -267276.7374 -222048.7669 163.1952 -2964.1706 -2216.4102 921491.4634 -2964.1706 -2216.4102
ENERGY: 484 20460.8927 19631.1924 5730.2465 187.5455 -336590.8883 23126.1387 0.0000 0.0000 45003.6010 -222451.2715 163.7107 -267454.8725 -222059.8740 163.7107 -1565.2411 -2143.1837 921491.4634 -1565.2411 -2143.1837
ENERGY: 485 19688.7724 19800.2979 5730.5256 185.2458 -335902.5870 23092.8504 0.0000 0.0000 44955.5704 -222449.3245 163.5360 -267404.8949 -222045.9605 163.5360 -422.1559 -2086.8724 921491.4634 -422.1559 -2086.8724
ENERGY: 486 19602.5430 19954.8168 5729.7198 182.4662 -335612.3577 23080.3839 0.0000 0.0000 44645.9099 -222416.5181 162.4095 -267062.4280 -222044.6759 162.4095 87.3188 -2070.0971 921491.4634 87.3188 -2070.0971
ENERGY: 487 19881.0929 20072.0210 5727.4348 179.4360 -335846.4495 23091.0572 0.0000 0.0000 44503.3478 -222392.0598 161.8909 -266895.4076 -222045.2406 161.8909 -192.2341 -2106.8831 921491.4634 -192.2341 -2106.8831
ENERGY: 488 20125.2102 20156.1363 5723.5441 176.4338 -336552.5467 23118.8642 0.0000 0.0000 44827.0542 -222425.3039 163.0685 -267252.3581 -222057.1937 163.0685 -1145.7528 -2194.6672 921491.4634 -1145.7528 -2194.6672
ENERGY: 489 20526.8873 20236.4613 5718.5749 173.8639 -337540.4672 23156.7333 0.0000 0.0000 45266.0994 -222461.8471 164.6656 -267727.9465 -222045.6084 164.6656 -2511.2398 -2316.7060 921491.4634 -2511.2398 -2316.7060
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7485 20292.9028 5712.8912 171.8438 -338458.1380 23196.4898 0.0000 0.0000 45213.5627 -222459.6992 164.4745 -267673.2619 -222048.2206 164.4745 -3823.4030 -2437.4149 921491.4634 -3823.4030 -2437.4149
ENERGY: 491 22430.4630 20312.1368 5707.3795 170.5404 -338984.5815 23226.0955 0.0000 0.0000 44733.0097 -222404.9567 162.7264 -267137.9664 -222049.4636 162.7264 -4629.6925 -2524.6210 921491.4634 -4629.6925 -2524.6210
ENERGY: 492 22612.9539 20289.6819 5702.9944 170.0208 -338937.5842 23232.7221 0.0000 0.0000 44542.1963 -222387.0149 162.0323 -266929.2112 -222060.3858 162.0323 -4606.8516 -2557.4725 921491.4634 -4606.8516 -2557.4725
ENERGY: 493 21558.2187 20260.7384 5700.7779 170.3200 -338358.0666 23214.0550 0.0000 0.0000 45033.8242 -222420.1324 163.8207 -267453.9566 -222046.5899 163.8207 -3796.3813 -2540.0993 921491.4634 -3796.3813 -2540.0993
ENERGY: 494 20068.3372 20225.0273 5700.9806 171.2193 -337454.3873 23183.0806 0.0000 0.0000 45622.2487 -222483.4937 165.9612 -268105.7424 -222044.0866 165.9612 -2500.8991 -2482.1067 921491.4634 -2500.8991 -2482.1067
ENERGY: 495 19383.2471 20186.8314 5703.5926 172.5416 -336566.9927 23159.4633 0.0000 0.0000 45484.1244 -222477.1923 165.4587 -267961.3168 -222041.5561 165.4587 -1249.6839 -2407.3056 921491.4634 -1249.6839 -2407.3056
ENERGY: 496 19722.4840 20130.6486 5708.0350 174.0933 -335998.7197 23154.2641 0.0000 0.0000 44699.5286 -222409.6659 162.6046 -267109.1946 -222049.0670 162.6046 -478.9002 -2343.4752 921491.4634 -478.9002 -2343.4752
ENERGY: 497 20212.6674 20059.9188 5713.4613 175.7242 -335952.5079 23166.3548 0.0000 0.0000 44261.0304 -222363.3510 161.0095 -266624.3813 -222042.7499 161.0095 -421.0238 -2316.7931 921491.4634 -421.0238 -2316.7931
ENERGY: 498 20182.0172 19957.1223 5718.5596 177.2604 -336366.4961 23189.3586 0.0000 0.0000 44728.2548 -222413.9232 162.7091 -267142.1780 -222044.5219 162.7091 -993.4685 -2331.6475 921491.4634 -993.4685 -2331.6475
ENERGY: 499 20158.0683 19847.7310 5722.4089 178.6361 -337058.4842 23219.2403 0.0000 0.0000 45439.2658 -222493.1338 165.2956 -267932.3996 -222047.2061 165.2956 -2020.8691 -2376.3393 921491.4634 -2020.8691 -2376.3393
Info: Benchmark time: 4 CPUs 0.457567 s/step 5.29591 days/ns 3224.15 MB memory
TIMING: 500 CPU: 234.295, 0.454403/step Wall: 234.295, 0.454403/step, 0 hours remaining, 3224.148438 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 20974.8934 19756.6577 5724.4523 179.8271 -337741.4198 23251.1007 0.0000 0.0000 45359.0797 -222495.4089 165.0039 -267854.4886 -222061.0907 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
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, 3229.402 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.402 MB of memory in use
====================================================
WallClock: 241.102768 CPUTime: 241.102768 Memory: 3229.402344 MB
[Partition 0][Node 0] End of program
Application 109696655 resources: utime ~947s, stime ~19s, Rss ~126760, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.102768
CPU=241.102768
MEM=3229.402344
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins18158511641357332275.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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