Skipping 681 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 ============== 55.1421
LDB: Largest compute 200 load 0.428721 is 1.2% of average load 36.818812
LDB: Average compute 0.051585 is 0.1% of average load 36.818812
LDB: Partitioning computes with target load 3.681881
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055954
LDB: ============== END OF LOAD BALANCING =============== 55.1442
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 55.145
Info: Initial time: 4 CPUs 0.47426 s/step 5.48912 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.3972, 0.473229/step Wall: 48.3972, 0.473229/step, 0.052581 hours remaining, 3221.484375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.5919
LDB: ============== END OF LOAD BALANCING =============== 64.592
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.5925
TIMING: 120 CPU: 57.8437, 0.472323/step Wall: 57.8437, 0.472323/step, 0.0498563 hours remaining, 3221.683594 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 21874.8524 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9638 -222340.8740 155.6399 -265125.8379 -222213.1817 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.283, 0.471966/step Wall: 67.283, 0.471966/step, 0.0471966 hours remaining, 3221.882812 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: 76.7148, 0.471588/step Wall: 76.7148, 0.471588/step, 0.0445389 hours remaining, 3222.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4915 -333735.9153 20833.5471 0.0000 0.0000 44515.8596 -222542.3533 161.9365 -267058.2129 -222175.6787 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6068 -222342.9104 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8224 20884.6195 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7467 -222160.7801 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4180 19999.6890 5775.3367 206.4584 -333382.4929 20963.4338 0.0000 0.0000 42492.3351 -222325.8219 154.5754 -264818.1570 -222149.7710 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0279 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3194 18664.1735 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2624 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6845 -2681.8088 921491.4634 -2870.6845 -2681.8088
ENERGY: 178 21917.7898 18733.9558 5737.6245 154.5770 -332975.2973 21015.2132 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.1344, 0.470981/step Wall: 86.1344, 0.470981/step, 0.041865 hours remaining, 3222.179688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8756 19424.9915 5710.5469 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5526 -222572.3093 163.2631 -267452.8619 -222144.6145 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0940 21043.7459 0.0000 0.0000 44391.5886 -222435.3694 161.4844 -266826.9580 -222129.2891 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2966 19471.4304 5678.7398 184.6336 -333156.1129 21076.9264 0.0000 0.0000 42449.0055 -222222.0804 154.4178 -264671.0859 -222130.9083 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3669 19122.7579 5714.1451 184.7200 -332668.2729 21129.4587 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7436 -2596.5493 921491.4634 -3040.7436 -2596.5493
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4995 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 102.301
LDB: Largest compute 200 load 0.423909 is 1.2% of average load 36.641246
LDB: Average compute 0.051326 is 0.1% of average load 36.641246
LDB: TIME 102.303 LOAD: AVG 36.6412 MAX 37.7085 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 102.305 LOAD: AVG 36.6412 MAX 37.5481 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 102.307
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.31
Info: Initial time: 4 CPUs 0.471513 s/step 5.45733 days/ns 3223.58 MB memory
TIMING: 200 CPU: 95.5582, 0.471192/step Wall: 95.5582, 0.471192/step, 0.039266 hours remaining, 3223.582031 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 -334670.2810 21209.9247 0.0000 0.0000 45319.1600 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1029 18674.3332 5716.2802 191.4189 -334751.7130 21239.1340 0.0000 0.0000 43222.4694 -222327.9744 157.2315 -265550.4438 -222100.1080 157.2315 -4546.2004 -2661.1901 921491.4634 -4546.2004 -2661.1901
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5587 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8620 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4717 -222628.9810 165.9875 -268258.4528 -222116.7003 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2550 21197.9185 0.0000 0.0000 44690.7147 -222526.2118 162.5725 -267216.9265 -222099.8061 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3433 21241.8391 0.0000 0.0000 42439.0583 -222274.9357 154.3816 -264713.9940 -222100.3398 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9790 21289.9001 0.0000 0.0000 42143.6913 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6270 -222472.1868 161.6191 -266900.8138 -222122.6317 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2568 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0285 164.6123 -267767.4618 -222108.2019 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7284 -222254.1131 156.5376 -265285.8415 -222106.8544 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0296 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1637 -222249.7028 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7804 -222504.4449 165.2210 -267923.2253 -222097.3837 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 46958.4701 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8919 164.7987 -267830.5663 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1787 -222248.3321 154.3930 -264690.5108 -222073.6159 154.3930 420.9900 -2541.5429 921491.4634 420.9900 -2541.5429
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6750 -222225.0686 152.7251 -264208.7436 -222064.4468 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6836 -222478.5364 160.7099 -266657.2199 -222068.8158 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
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TIMING: 220 CPU: 104.98, 0.471109/step Wall: 104.98, 0.471109/step, 0.0366418 hours remaining, 3223.582031 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: 114.395, 0.470748/step Wall: 114.395, 0.470748/step, 0.0339985 hours remaining, 3223.582031 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: 240 22861.0419 20119.9135 5760.6910 171.4213 -335766.3624 21854.4252 0.0000 0.0000 42641.4775 -222357.3921 155.1180 -264998.8696 -222074.0954 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8195 21831.0567 0.0000 0.0000 43526.8718 -222396.7197 158.3388 -265923.5914 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7067 21770.4747 0.0000 0.0000 45537.0688 -222575.9247 165.6513 -268112.9935 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2463 19849.3935 5737.4544 169.6534 -334482.6010 21720.5675 0.0000 0.0000 45629.1662 -222554.1196 165.9864 -268183.2858 -222078.7773 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2367 19811.7599 5725.7785 171.4559 -334087.5946 21701.2469 0.0000 0.0000 44168.5248 -222360.5919 160.6730 -266529.1167 -222068.6368 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1206 21705.0850 0.0000 0.0000 43600.4182 -222284.3180 158.6063 -265884.7362 -222067.4298 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8453 0.0000 0.0000 44912.1911 -222431.6939 163.3782 -267343.8850 -222068.1396 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4923 20164.4296 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2674 21826.9294 0.0000 0.0000 43905.3719 -222425.8457 159.7157 -266331.2176 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0191 -222581.3413 165.5893 -268101.3604 -222082.7206 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8797 21752.6523 0.0000 0.0000 45220.9195 -222528.5273 164.5013 -267749.4468 -222080.4687 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9232 21746.1514 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4624 -222078.3977 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4052 -222071.2741 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5469 -222428.4892 161.8371 -266917.0361 -222060.1685 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1545 21817.5076 0.0000 0.0000 45796.2578 -222556.7764 166.5942 -268353.0342 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.797, 0.470101/step Wall: 123.797, 0.470101/step, 0.0313401 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
ENERGY: 260 22744.9540 19188.2463 5675.1875 191.0393 -336169.7729 21924.7892 0.0000 0.0000 44083.4305 -222362.1259 160.3634 -266445.5565 -222069.6816 160.3634 -3407.4793 -2810.9879 921491.4634 -3407.4793 -2810.9879
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ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7860 21947.6073 0.0000 0.0000 44601.6345 -222438.8163 162.2485 -267040.4508 -222052.4326 162.2485 -3214.7561 -2810.4638 921491.4634 -3214.7561 -2810.4638
ENERGY: 263 19781.1227 20140.5623 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7770 -222527.2807 164.9700 -267877.0577 -222051.1551 164.9700 -2647.8116 -2773.3904 921491.4634 -2647.8116 -2773.3904
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3173 -222069.1985 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6632 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7496 -222054.3373 158.6326 -2038.0575 -2683.6035 921491.4634 -2038.0575 -2683.6035
ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4576 21914.4804 0.0000 0.0000 43399.3796 -222348.1914 157.8750 -265747.5709 -222054.3636 157.8750 -2130.7242 -2664.5957 921491.4634 -2130.7242 -2664.5957
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4854 21930.8373 0.0000 0.0000 44220.2167 -222446.1647 160.8610 -266666.3814 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7448 21959.1256 0.0000 0.0000 44823.5376 -222504.2926 163.0557 -267327.8302 -222075.9877 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -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 22620.1931 19450.9167 5690.3173 187.1618 -336650.6772 22028.8069 0.0000 0.0000 44308.0074 -222365.2740 161.1804 -266673.2813 -222067.0436 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7889 22035.2500 0.0000 0.0000 44829.4470 -222406.5213 163.0772 -267235.9684 -222066.8388 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4611 22015.0579 0.0000 0.0000 45607.7074 -222503.3110 165.9083 -268111.0184 -222081.1572 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7009 21985.5295 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8502 19594.7506 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1301 -2417.6040 921491.4634 -1580.1301 -2417.6040
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6330 -222061.0988 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4575 19713.7759 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2540 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3647 19593.9431 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0880 -222376.7280 159.9693 -266351.8160 -222065.2024 159.9693 -4044.3211 -2682.8389 921491.4634 -4044.3211 -2682.8389
TIMING: 280 CPU: 133.186, 0.469422/step Wall: 133.186, 0.469422/step, 0.0286869 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 20943.7897 19615.5379 5669.9796 186.8360 -336942.5036 22176.7654 0.0000 0.0000 45823.3370 -222526.2580 166.6927 -268349.5950 -222063.3318 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
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ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8230 -334658.1149 22176.6863 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7503 -2717.2846 921491.4634 -1306.7503 -2717.2846
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9437 -222485.6060 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9904 -222455.2377 160.4855 -266572.2281 -222066.9054 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 149.34
LDB: Largest compute 200 load 0.520147 is 1.1% of average load 45.786451
LDB: Average compute 0.064138 is 0.1% of average load 45.786451
LDB: TIME 149.342 LOAD: AVG 45.7865 MAX 47.0304 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 149.343 LOAD: AVG 45.7865 MAX 47.0304 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 149.357 LOAD: AVG 45.7865 MAX 46.2985 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 149.358
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.359
Info: Initial time: 4 CPUs 0.469985 s/step 5.43964 days/ns 3224.24 MB memory
TIMING: 300 CPU: 142.576, 0.469498/step Wall: 142.576, 0.469498/step, 0.0260832 hours remaining, 3224.238281 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: 151.798, 0.461104/step Wall: 151.798, 0.461104/step, 0.0230552 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.017, 0.460974/step Wall: 161.017, 0.460974/step, 0.0204877 hours remaining, 3224.238281 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: 170.227, 0.4605/step Wall: 170.227, 0.4605/step, 0.0179083 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4609 20251.1592 5706.5521 182.3248 -335763.5805 22794.3775 0.0000 0.0000 43848.2754 -222334.4305 159.5080 -266182.7059 -222041.4015 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8101 20495.6593 5711.4639 183.2952 -336584.2282 22821.5838 0.0000 0.0000 44474.7535 -222423.6623 161.7869 -266898.4159 -222044.3970 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.434, 0.460356/step Wall: 179.434, 0.460356/step, 0.0153452 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4113 19596.0351 5710.5349 179.0647 -336052.0484 22884.2533 0.0000 0.0000 45539.1831 -222517.5659 165.6590 -268056.7490 -222062.0927 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
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ENERGY: 386 19981.2272 19220.9463 5707.6637 175.9385 -334865.1815 22880.7956 0.0000 0.0000 44519.8585 -222378.7517 161.9510 -266898.6102 -222051.0439 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8724 22905.2742 0.0000 0.0000 44377.1813 -222372.0351 161.4320 -266749.2164 -222053.0051 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3987 19280.0168 5717.2934 173.7038 -335824.1515 22938.2898 0.0000 0.0000 44972.7757 -222459.6732 163.5986 -267432.4489 -222067.4818 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: 398 19692.8116 20133.3591 5716.9814 176.0456 -336812.3377 23014.0580 0.0000 0.0000 45592.7321 -222486.3499 165.8538 -268079.0820 -222045.7225 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.428
LDB: Largest compute 230 load 0.519040 is 1.1% of average load 45.696965
LDB: Average compute 0.063993 is 0.1% of average load 45.696965
LDB: TIME 195.43 LOAD: AVG 45.697 MAX 46.0692 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 195.431 LOAD: AVG 45.697 MAX 46.0692 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 195.431 LOAD: AVG 45.697 MAX 46.0692 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 195.431
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.432
Info: Benchmark time: 4 CPUs 0.46063 s/step 5.33137 days/ns 3224.24 MB memory
TIMING: 400 CPU: 188.643, 0.46041/step Wall: 188.643, 0.46041/step, 0.0127892 hours remaining, 3224.238281 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: 408 19735.8470 19387.6645 5692.2152 187.5226 -335902.8218 23017.8168 0.0000 0.0000 45394.4122 -222487.3435 165.1324 -267881.7557 -222063.5315 165.1324 -920.8282 -2294.1557 921491.4634 -920.8282 -2294.1557
ENERGY: 409 20350.1185 19376.4609 5688.4775 191.1593 -336896.6845 23057.9917 0.0000 0.0000 45733.6060 -222498.8707 166.3663 -268232.4767 -222051.6708 166.3663 -2367.4920 -2346.9326 921491.4634 -2367.4920 -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 21130.1417 20138.5249 5699.9334 199.7191 -337872.5316 23125.1112 0.0000 0.0000 45113.2141 -222465.8872 164.1095 -267579.1013 -222055.3456 164.1095 -3850.6270 -2398.9550 921491.4634 -3850.6270 -2398.9550
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7795 23094.4553 0.0000 0.0000 45271.6527 -222483.1100 164.6858 -267754.7626 -222052.1626 164.6858 -2501.3243 -2333.9465 921491.4634 -2501.3243 -2333.9465
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ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6954 -336157.5857 23063.1711 0.0000 0.0000 44200.2848 -222384.0423 160.7885 -266584.3271 -222052.9646 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3749 20631.3209 5709.0494 192.4696 -336373.1070 23072.1095 0.0000 0.0000 44338.4616 -222398.3211 161.2911 -266736.7827 -222044.6995 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6647 20457.0909 5705.5847 188.6536 -336970.7861 23098.6723 0.0000 0.0000 44915.1420 -222450.9780 163.3889 -267366.1199 -222046.7094 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7628 20185.5523 5700.4810 184.6055 -337717.8750 23139.8020 0.0000 0.0000 45250.3100 -222466.3615 164.6082 -267716.6714 -222049.5952 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.825, 0.459125/step Wall: 197.825, 0.459125/step, 0.0102028 hours remaining, 3224.238281 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: 432 21768.3703 20188.6724 5710.3547 168.1086 -338651.2108 23176.0843 0.0000 0.0000 45177.9912 -222461.6291 164.3451 -267639.6204 -222065.9065 164.3451 -3350.2744 -2296.1500 921491.4634 -3350.2744 -2296.1500
ENERGY: 433 21200.9072 20275.9664 5710.3763 168.4633 -338164.0645 23162.2908 0.0000 0.0000 45192.9287 -222453.1317 164.3995 -267646.0604 -222052.5988 164.3995 -3187.3736 -2272.1278 921491.4634 -3187.3736 -2272.1278
ENERGY: 434 20730.3413 20338.1499 5711.6061 169.3247 -337394.2712 23140.7733 0.0000 0.0000 44883.1001 -222420.9758 163.2724 -267304.0759 -222051.1469 163.2724 -2694.3111 -2227.7887 921491.4634 -2694.3111 -2227.7887
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6563 23123.4095 0.0000 0.0000 44675.9842 -222398.7951 162.5190 -267074.7793 -222049.5895 162.5190 -2061.3586 -2179.8953 921491.4634 -2061.3586 -2179.8953
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TIMING: 440 CPU: 206.994, 0.458442/step Wall: 206.994, 0.458442/step, 0.00764069 hours remaining, 3224.238281 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 22071.5681 20036.2374 5729.7527 186.7201 -338123.1810 23276.2484 0.0000 0.0000 44417.5463 -222405.1081 161.5788 -266822.6544 -222059.4775 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
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ENERGY: 442 21853.6117 19664.5353 5729.4854 192.9411 -338090.1537 23327.1566 0.0000 0.0000 44880.6320 -222441.7915 163.2634 -267322.4235 -222049.7757 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3315 19487.0727 5727.6164 194.9329 -337369.3154 23320.0156 0.0000 0.0000 45118.1106 -222457.2356 164.1273 -267575.3462 -222048.5998 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3363 19357.2695 5725.4095 195.8735 -336464.1928 23301.5275 0.0000 0.0000 44987.7174 -222447.0592 163.6530 -267434.7766 -222057.9801 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5608 19307.2522 5723.6513 195.6942 -335759.3918 23283.8138 0.0000 0.0000 44708.7149 -222414.7046 162.6380 -267123.4195 -222046.5432 162.6380 -1846.9628 -2201.6926 921491.4634 -1846.9628 -2201.6926
ENERGY: 446 19947.6805 19324.9009 5722.5430 194.3235 -335494.5710 23276.0450 0.0000 0.0000 44620.2939 -222408.7843 162.3164 -267029.0782 -222046.1625 162.3164 -1800.7519 -2216.7294 921491.4634 -1800.7519 -2216.7294
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8641 -335769.4399 23282.7458 0.0000 0.0000 44816.5081 -222425.8054 163.0301 -267242.3135 -222046.8347 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5918 19583.6799 5722.5764 188.5554 -336503.1795 23303.8904 0.0000 0.0000 45065.6667 -222451.2188 163.9365 -267516.8855 -222059.3484 163.9365 -2372.1878 -2303.7898 921491.4634 -2372.1878 -2303.7898
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4850 20108.1297 5724.4776 181.0897 -338419.3240 23364.6243 0.0000 0.0000 44854.3088 -222432.2089 163.1676 -267286.5177 -222048.7863 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
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ENERGY: 452 22246.2013 20536.0131 5723.8953 174.8859 -338927.1532 23378.0944 0.0000 0.0000 44452.9187 -222415.1445 161.7075 -266868.0632 -222059.6376 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8725 20641.1308 5722.2878 173.1350 -338392.7930 23354.5908 0.0000 0.0000 44683.7025 -222418.0736 162.5470 -267101.7760 -222043.5377 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3380 20654.1372 5720.2217 172.3637 -337567.1413 23320.6902 0.0000 0.0000 45008.1458 -222443.2447 163.7273 -267451.3905 -222041.8397 163.7273 -1453.4581 -2293.1451 921491.4634 -1453.4581 -2293.1451
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6453 23290.4024 0.0000 0.0000 45086.5782 -222451.1609 164.0126 -267537.7391 -222040.8576 164.0126 -1151.8827 -2255.8573 921491.4634 -1151.8827 -2255.8573
ENERGY: 456 19493.3721 20440.6799 5717.7555 173.4248 -336350.1076 23274.9632 0.0000 0.0000 44811.4721 -222438.4399 163.0118 -267249.9120 -222055.3489 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4927 20251.9434 5718.5580 174.9241 -336395.8167 23277.8275 0.0000 0.0000 44521.8704 -222403.2006 161.9583 -266925.0710 -222049.4136 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8432 20019.2722 5720.7060 176.6081 -336835.0963 23294.7173 0.0000 0.0000 44632.7891 -222405.1603 162.3618 -267037.9494 -222051.2826 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
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TIMING: 460 CPU: 216.156, 0.458106/step Wall: 216.156, 0.458106/step, 0.00509006 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2255 19487.8113 5736.4822 180.9531 -337988.7178 23351.1084 0.0000 0.0000 44559.9295 -222408.2077 162.0968 -266968.1373 -222056.7217 162.0968 -2954.8202 -2323.4253 921491.4634 -2954.8202 -2323.4253
ENERGY: 463 21821.1791 19513.9020 5738.9361 181.1160 -337284.1036 23326.9474 0.0000 0.0000 44313.4573 -222388.5655 161.2002 -266702.0229 -222054.6245 161.2002 -2012.4426 -2264.0780 921491.4634 -2012.4426 -2264.0780
ENERGY: 464 20535.2461 19559.9277 5739.2518 181.0096 -336389.3848 23291.1938 0.0000 0.0000 44654.0269 -222428.7290 162.4391 -267082.7558 -222058.5734 162.4391 -1050.9230 -2205.5271 921491.4634 -1050.9230 -2205.5271
ENERGY: 465 19322.7827 19631.8858 5737.2898 180.7155 -335701.1539 23259.7387 0.0000 0.0000 45094.5689 -222474.1725 164.0416 -267568.7413 -222052.9393 164.0416 -512.3349 -2174.4010 921491.4634 -512.3349 -2174.4010
ENERGY: 466 19088.4509 19708.3584 5733.2107 180.2808 -335443.7727 23245.0599 0.0000 0.0000 45020.7908 -222467.6211 163.7733 -267488.4120 -222052.9790 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8068 19783.1743 5727.6703 179.7757 -335721.0948 23249.4524 0.0000 0.0000 44523.6665 -222415.5488 161.9649 -266939.2153 -222054.3500 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8479 19845.4942 5721.5089 179.2779 -336451.5656 23265.8119 0.0000 0.0000 44291.6584 -222385.9665 161.1209 -266677.6249 -222056.3593 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3013 19910.2019 5715.6824 178.8504 -337458.3189 23284.3955 0.0000 0.0000 44720.3200 -222412.5674 162.6802 -267132.8875 -222046.0752 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8930 5710.9491 178.5947 -338383.2493 23297.0666 0.0000 0.0000 45346.4572 -222466.1158 164.9579 -267812.5730 -222047.6090 164.9579 -4259.6996 -2477.6832 921491.4634 -4259.6996 -2477.6832
ENERGY: 471 21732.8676 20054.6830 5707.9626 178.5890 -338913.2436 23297.5078 0.0000 0.0000 45471.3364 -222470.2972 165.4122 -267941.6336 -222047.5361 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2359 20161.5545 5707.0091 178.9047 -338870.6753 23279.4484 0.0000 0.0000 45028.5294 -222433.9933 163.8014 -267462.5227 -222059.5062 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1361 20289.3420 5707.9842 179.6165 -338307.7177 23240.7356 0.0000 0.0000 44634.5170 -222389.3863 162.3681 -267023.9033 -222043.8543 162.3681 -2556.3618 -2408.1658 921491.4634 -2556.3618 -2408.1658
ENERGY: 474 20842.9703 20372.0979 5710.2160 180.7466 -337438.4538 23189.2341 0.0000 0.0000 44733.2303 -222409.9585 162.7272 -267143.1889 -222041.2624 162.7272 -1295.5527 -2316.2729 921491.4634 -1295.5527 -2316.2729
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ENERGY: 476 19235.7859 20282.0269 5715.7683 184.0125 -336100.0891 23115.8459 0.0000 0.0000 45106.0631 -222460.5865 164.0835 -267566.6497 -222053.6142 164.0835 -92.4051 -2183.0654 921491.4634 -92.4051 -2183.0654
ENERGY: 477 19704.7246 20145.9810 5718.4976 185.9230 -336101.8780 23114.2931 0.0000 0.0000 44812.3206 -222420.1379 163.0149 -267232.4585 -222044.8416 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4773 19974.7637 5721.0254 187.7262 -336537.4029 23131.2452 0.0000 0.0000 44627.0331 -222402.1319 162.3409 -267029.1650 -222047.4111 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3056 19793.3958 5723.3295 189.2099 -337215.5834 23156.6764 0.0000 0.0000 44802.1577 -222425.5087 162.9779 -267227.6664 -222050.5464 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.309, 0.457631/step Wall: 225.309, 0.457631/step, 0.0025424 hours remaining, 3224.238281 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 21624.0325 19623.1968 5725.3111 190.1901 -337854.6785 23181.5110 0.0000 0.0000 45051.6814 -222458.7556 163.8856 -267510.4370 -222064.6215 163.8856 -4077.7329 -2291.4895 921491.4634 -4077.7329 -2291.4895
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ENERGY: 482 22186.3466 19466.6800 5728.4963 190.3598 -338044.5422 23192.7466 0.0000 0.0000 44865.8522 -222414.0606 163.2096 -267279.9128 -222051.4118 163.2096 -4059.3101 -2278.0619 921491.4634 -4059.3101 -2278.0619
ENERGY: 483 21553.1413 19511.5750 5729.5660 189.3227 -337426.2189 23165.8732 0.0000 0.0000 44861.8971 -222414.8435 163.1953 -267276.7407 -222048.7678 163.1953 -2964.1726 -2216.4120 921491.4634 -2964.1726 -2216.4120
ENERGY: 484 20460.8925 19631.1944 5730.2465 187.5455 -336590.8885 23126.1343 0.0000 0.0000 45003.6033 -222451.2720 163.7107 -267454.8753 -222059.8745 163.7107 -1565.2428 -2143.1853 921491.4634 -1565.2428 -2143.1853
ENERGY: 485 19688.7720 19800.2995 5730.5256 185.2458 -335902.5866 23092.8462 0.0000 0.0000 44955.5727 -222449.3248 163.5360 -267404.8975 -222045.9608 163.5360 -422.1573 -2086.8739 921491.4634 -422.1573 -2086.8739
ENERGY: 486 19602.5425 19954.8179 5729.7197 182.4662 -335612.3566 23080.3799 0.0000 0.0000 44645.9119 -222416.5184 162.4096 -267062.4303 -222044.6763 162.4096 87.3176 -2070.0986 921491.4634 87.3176 -2070.0986
ENERGY: 487 19881.0922 20072.0214 5727.4347 179.4360 -335846.4478 23091.0536 0.0000 0.0000 44503.3496 -222392.0602 161.8910 -266895.4098 -222045.2410 161.8910 -192.2350 -2106.8844 921491.4634 -192.2350 -2106.8844
ENERGY: 488 20125.2096 20156.1361 5723.5441 176.4338 -336552.5446 23118.8608 0.0000 0.0000 44827.0559 -222425.3044 163.0685 -267252.3602 -222057.1941 163.0685 -1145.7537 -2194.6683 921491.4634 -1145.7537 -2194.6683
ENERGY: 489 20526.8869 20236.4607 5718.5748 173.8639 -337540.4647 23156.7302 0.0000 0.0000 45266.1006 -222461.8476 164.6656 -267727.9482 -222045.6088 164.6656 -2511.2407 -2316.7069 921491.4634 -2511.2407 -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 21410.7487 20292.9018 5712.8912 171.8438 -338458.1352 23196.4870 0.0000 0.0000 45213.5632 -222459.6996 164.4745 -267673.2628 -222048.2210 164.4745 -3823.4040 -2437.4157 921491.4634 -3823.4040 -2437.4157
ENERGY: 491 22430.4637 20312.1355 5707.3795 170.5404 -338984.5785 23226.0930 0.0000 0.0000 44733.0093 -222404.9571 162.7264 -267137.9664 -222049.4641 162.7264 -4629.6935 -2524.6217 921491.4634 -4629.6935 -2524.6217
ENERGY: 492 22612.9546 20289.6804 5702.9944 170.0208 -338937.5807 23232.7199 0.0000 0.0000 44542.1954 -222387.0153 162.0323 -266929.2107 -222060.3862 162.0323 -4606.8525 -2557.4732 921491.4634 -4606.8525 -2557.4732
ENERGY: 493 21558.2188 20260.7368 5700.7779 170.3200 -338358.0626 23214.0531 0.0000 0.0000 45033.8233 -222420.1328 163.8207 -267453.9560 -222046.5903 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3367 20225.0255 5700.9805 171.2193 -337454.3828 23183.0790 0.0000 0.0000 45622.2478 -222483.4941 165.9612 -268105.7419 -222044.0869 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2462 20186.8296 5703.5926 172.5416 -336566.9880 23159.4620 0.0000 0.0000 45484.1233 -222477.1927 165.4587 -267961.3160 -222041.5565 165.4587 -1249.6841 -2407.3057 921491.4634 -1249.6841 -2407.3057
ENERGY: 496 19722.4832 20130.6470 5708.0350 174.0933 -335998.7149 23154.2630 0.0000 0.0000 44699.5272 -222409.6661 162.6046 -267109.1933 -222049.0672 162.6046 -478.9000 -2343.4752 921491.4634 -478.9000 -2343.4752
ENERGY: 497 20212.6665 20059.9175 5713.4613 175.7242 -335952.5035 23166.3540 0.0000 0.0000 44261.0288 -222363.3512 161.0095 -266624.3800 -222042.7502 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0162 19957.1217 5718.5596 177.2604 -336366.4926 23189.3580 0.0000 0.0000 44728.2533 -222413.9235 162.7091 -267142.1768 -222044.5221 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0674 19847.7311 5722.4089 178.6361 -337058.4817 23219.2399 0.0000 0.0000 45439.2642 -222493.1341 165.2956 -267932.3983 -222047.2064 165.2956 -2020.8687 -2376.3391 921491.4634 -2020.8687 -2376.3391
Info: Benchmark time: 4 CPUs 0.457472 s/step 5.29482 days/ns 3224.24 MB memory
TIMING: 500 CPU: 234.39, 0.454067/step Wall: 234.39, 0.454067/step, 0 hours remaining, 3224.238281 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 20974.8932 19756.6588 5724.4523 179.8271 -337741.4189 23251.1003 0.0000 0.0000 45359.0776 -222495.4095 165.0039 -267854.4872 -222061.0913 165.0039 -3197.5168 -2425.4144 921491.4634 -3197.5168 -2425.4144
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, 3229.535 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.535 MB of memory in use
====================================================
WallClock: 242.063599 CPUTime: 242.063599 Memory: 3229.535156 MB
[Partition 0][Node 0] End of program
Application 109638623 resources: utime ~950s, stime ~20s, Rss ~127148, inblocks ~67176, outblocks ~72241
Displaying status file:
verified
WALL=242.063599
CPU=242.063599
MEM=3229.535156
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins2330023192471653886.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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