Skipping 716 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.377
LDB: Largest compute 200 load 0.429283 is 1.2% of average load 36.821331
LDB: Average compute 0.051579 is 0.1% of average load 36.821331
LDB: Partitioning computes with target load 3.682133
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055652
LDB: ============== END OF LOAD BALANCING =============== 54.3796
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3807
Info: Initial time: 4 CPUs 0.4742 s/step 5.48843 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.3946, 0.473296/step Wall: 48.3946, 0.473296/step, 0.0525885 hours remaining, 3221.539062 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 ============== 63.8276
LDB: ============== END OF LOAD BALANCING =============== 63.8279
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.8286
TIMING: 120 CPU: 57.8398, 0.472259/step Wall: 57.8398, 0.472259/step, 0.0498496 hours remaining, 3221.742188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8737 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2788, 0.471951/step Wall: 67.2788, 0.471951/step, 0.0471951 hours remaining, 3221.945312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 156 18312.4484 20599.9073 5758.8570 173.6449 -332218.9143 20684.3829 0.0000 0.0000 44137.5521 -222552.1215 160.5603 -266689.6737 -222166.8045 160.5603 -219.5096 -2571.5312 921491.4634 -219.5096 -2571.5312
ENERGY: 157 20043.0838 19943.2665 5753.0946 171.8900 -332363.0655 20715.7865 0.0000 0.0000 43325.6933 -222410.2507 157.6070 -265735.9441 -222155.5006 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0847 19425.3238 5743.5666 171.3409 -332829.8098 20761.5805 0.0000 0.0000 42713.6821 -222319.2312 155.3806 -265032.9133 -222157.3217 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 76.7073, 0.471428/step Wall: 76.7073, 0.471428/step, 0.0445238 hours remaining, 3222.105469 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 44515.8597 -222542.3532 161.9365 -267058.2129 -222175.6785 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6002 18685.5959 5704.9781 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7114 -222493.9565 160.8628 -266714.6679 -222160.9737 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6068 -222342.9103 156.6790 -265413.5171 -222161.4905 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9850 18346.8657 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6963 -222309.0504 156.4429 -265314.7467 -222160.7800 156.4429 -4776.8218 -2868.7270 921491.4634 -4776.8218 -2868.7270
ENERGY: 164 19652.8064 18261.0401 5702.5306 194.0206 -331567.4469 20861.9109 0.0000 0.0000 44426.5346 -222468.6037 161.6115 -266895.1383 -222170.9032 161.6115 -3836.1731 -2870.4449 921491.4634 -3836.1731 -2870.4449
ENERGY: 165 18074.0951 18343.8152 5716.1638 199.2019 -331183.0466 20849.6742 0.0000 0.0000 45425.8564 -222574.2399 165.2468 -268000.0964 -222153.1697 165.2468 -2737.5185 -2867.1446 921491.4634 -2737.5185 -2867.1446
ENERGY: 166 18979.7070 18650.1656 5734.9735 203.3281 -331407.1003 20870.8939 0.0000 0.0000 44483.6889 -222484.3434 161.8194 -266968.0323 -222151.2326 161.8194 -1964.3636 -2870.3839 921491.4634 -1964.3636 -2870.3839
ENERGY: 167 21026.8307 19216.2869 5755.9248 205.8794 -332212.1862 20917.6388 0.0000 0.0000 42775.8063 -222313.8194 155.6066 -265089.6256 -222150.5297 155.6066 -1671.2500 -2889.5868 921491.4634 -1671.2500 -2889.5868
ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4929 20963.4338 0.0000 0.0000 42492.3352 -222325.8217 154.5754 -264818.1569 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4665 20870.4070 5789.9166 204.9287 -334596.5073 20994.5723 0.0000 0.0000 43600.1911 -222488.0252 158.6055 -266088.2163 -222133.5316 158.6055 -2095.8777 -2988.7947 921491.4634 -2095.8777 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0014 21574.3801 5797.0542 201.1981 -335480.2503 21017.8094 0.0000 0.0000 43834.2689 -222570.5383 159.4570 -266404.8072 -222135.2421 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 172 23612.5240 21689.2904 5788.4217 188.3823 -335345.7504 21036.2039 0.0000 0.0000 40787.7257 -222243.2024 148.3745 -263030.9281 -222132.3040 148.3745 -3754.4378 -3004.4812 921491.4634 -3754.4378 -3004.4812
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ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2125 20943.2095 0.0000 0.0000 44722.5119 -222468.0276 162.6882 -267190.5395 -222127.3367 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2625 -222252.6194 155.3827 -264966.8819 -222125.5135 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7899 18733.9558 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1546 -222314.9823 156.7902 -265416.1369 -222126.1320 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.1258, 0.470922/step Wall: 86.1258, 0.470922/step, 0.0418597 hours remaining, 3222.246094 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: 182 23922.3456 19800.0772 5732.0748 164.8150 -333691.2981 21109.5294 0.0000 0.0000 40770.0180 -222192.4381 148.3101 -262962.4562 -222132.7632 148.3101 -2461.5985 -2635.7203 921491.4634 -2461.5985 -2635.7203
ENERGY: 183 22149.3485 19677.1534 5722.7616 169.5349 -332921.8735 21084.4911 0.0000 0.0000 41834.8236 -222283.7605 152.1836 -264118.5840 -222131.2588 152.1836 -1990.8045 -2626.5157 921491.4634 -1990.8045 -2626.5157
ENERGY: 184 18376.8755 19424.9916 5710.5468 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3088 163.2631 -267452.8617 -222144.6140 163.2631 -1576.6174 -2645.2273 921491.4634 -1576.6174 -2645.2273
ENERGY: 185 16957.7744 19234.6874 5697.7241 178.4155 -331895.6961 21023.9443 0.0000 0.0000 46149.4987 -222653.6516 167.8792 -268803.1503 -222128.1654 167.8792 -1752.9882 -2679.2076 921491.4634 -1752.9882 -2679.2076
ENERGY: 186 19266.0406 19234.9572 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3689 161.4844 -266826.9576 -222129.2885 161.4844 -2596.4732 -2731.4262 921491.4634 -2596.4732 -2731.4262
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1829 19886.6774 5676.0120 186.3502 -334382.7611 21093.9044 0.0000 0.0000 43113.1617 -222325.4725 156.8338 -265438.6342 -222135.3906 156.8338 -4316.2655 -2887.0591 921491.4634 -4316.2655 -2887.0591
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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: 190 20342.0727 20848.4448 5686.3598 187.0164 -336318.7430 21106.5487 0.0000 0.0000 45533.2634 -222615.0373 165.6375 -268148.3007 -222116.1589 165.6375 -4141.9211 -2962.8209 921491.4634 -4141.9211 -2962.8209
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ENERGY: 196 19755.8662 19594.9319 5717.4229 183.5644 -332319.6948 21082.8579 0.0000 0.0000 43603.6155 -222381.4360 158.6180 -265985.0515 -222096.3126 158.6180 -1480.5939 -2574.8091 921491.4634 -1480.5939 -2574.8091
ENERGY: 197 21700.3669 19122.7579 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3656 -222242.4586 154.8738 -264816.8242 -222086.7179 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2865 -222391.0320 159.7372 -266302.3185 -222090.4391 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
ENERGY: 199 20113.4048 18634.4039 5710.3429 188.2374 -334151.8586 21182.1777 0.0000 0.0000 45722.9589 -222600.3329 166.3276 -268323.2918 -222093.2750 166.3276 -5152.2286 -2691.5412 921491.4634 -5152.2286 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.53
LDB: Largest compute 200 load 0.423894 is 1.2% of average load 36.638564
LDB: Average compute 0.051320 is 0.1% of average load 36.638564
LDB: TIME 101.532 LOAD: AVG 36.6386 MAX 37.7016 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.59 MB
LDB: TIME 101.534 LOAD: AVG 36.6386 MAX 37.5255 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.59 MB
LDB: ============== END OF LOAD BALANCING =============== 101.536
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.539
Info: Initial time: 4 CPUs 0.471417 s/step 5.45622 days/ns 3223.84 MB memory
TIMING: 200 CPU: 95.5466, 0.471039/step Wall: 95.5466, 0.471039/step, 0.0392532 hours remaining, 3223.843750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6350 5711.8747 190.0258 -334670.2808 21209.9247 0.0000 0.0000 45319.1601 -222569.9768 164.8586 -267889.1369 -222114.5241 164.8586 -5241.8526 -2703.6812 921491.4634 -5241.8526 -2703.6812
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4188 -334751.7128 21239.1340 0.0000 0.0000 43222.4695 -222327.9739 157.2315 -265550.4434 -222100.1075 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8115 18850.8451 5722.5980 192.1474 -334305.3004 21243.2752 0.0000 0.0000 42432.5589 -222241.0643 154.3580 -264673.6232 -222096.8287 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8943 19130.0392 5729.2399 192.0764 -333501.9370 21215.8254 0.0000 0.0000 44059.6987 -222431.1630 160.2771 -266490.8618 -222093.6423 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9558 5734.1463 191.2124 -332722.2198 21188.8403 0.0000 0.0000 45629.4719 -222628.9808 165.9875 -268258.4527 -222116.7000 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0791 19868.9416 5735.7153 189.6741 -332398.2550 21197.9186 0.0000 0.0000 44690.7148 -222526.2115 162.5725 -267216.9263 -222099.8059 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
ENERGY: 206 20668.8901 20170.9987 5732.9811 187.6404 -332716.3433 21241.8391 0.0000 0.0000 42439.0585 -222274.9355 154.3816 -264713.9940 -222100.3396 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 42143.6915 -222226.4458 153.3072 -264370.1373 -222103.0931 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8135 -222122.6312 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6801 -222642.3813 168.3309 -268916.0614 -222106.7899 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7766 21385.1096 0.0000 0.0000 45251.4334 -222516.0280 164.6123 -267767.4613 -222108.2014 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1927 19985.8631 5704.9373 176.9105 -336667.8924 21415.1477 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8412 -222106.8539 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2707 19730.8222 5710.0295 176.0352 -336013.6224 21412.5983 0.0000 0.0000 42995.1639 -222249.7025 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2158 19524.5248 5720.1722 175.9508 -334874.6440 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3933 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7407 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1789 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6752 -222225.0682 152.7251 -264208.7434 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.957, 0.47053/step Wall: 104.957, 0.47053/step, 0.0365968 hours remaining, 3223.843750 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: 114.36, 0.470154/step Wall: 114.36, 0.470154/step, 0.0339556 hours remaining, 3223.843750 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 -335904.8194 21831.0568 0.0000 0.0000 43526.8719 -222396.7193 158.3388 -265923.5913 -222063.5734 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6447 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0689 -222575.9243 165.6513 -268112.9932 -222061.6672 165.6513 -3760.4503 -2614.6991 921491.4634 -3760.4503 -2614.6991
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ENERGY: 245 20148.2367 19811.7601 5725.7784 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6364 160.6730 -1771.6899 -2533.5454 921491.4634 -1771.6899 -2533.5454
ENERGY: 246 20878.5479 19853.7026 5716.8932 174.1558 -334213.1205 21705.0851 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7928 -2523.3911 921491.4634 -1173.7928 -2523.3911
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9361 -222595.6866 168.0117 -268781.6227 -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 21994.9041 20013.1597 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3721 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
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ENERGY: 256 20899.4407 18950.9578 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2407 -2664.5198 921491.4634 -2042.2407 -2664.5198
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5362 -2692.1441 921491.4634 -2035.5362 -2692.1441
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2577 -222556.7762 166.5942 -268353.0339 -222062.0608 166.5942 -2331.2329 -2737.1919 921491.4634 -2331.2329 -2737.1919
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TIMING: 260 CPU: 123.755, 0.469731/step Wall: 123.755, 0.469731/step, 0.0313154 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: 263 19781.1227 20140.5623 5703.8103 187.9445 -335614.9712 21924.4741 0.0000 0.0000 45349.7769 -222527.2804 164.9700 -267877.0573 -222051.1547 164.9700 -2647.8113 -2773.3902 921491.4634 -2647.8113 -2773.3902
ENERGY: 264 19385.2258 20436.4306 5710.6950 187.5052 -334855.9507 21907.7773 0.0000 0.0000 44751.4782 -222476.8387 162.7936 -267228.3169 -222069.1981 162.7936 -2191.1924 -2723.5293 921491.4634 -2191.1924 -2723.5293
ENERGY: 265 19946.8412 20681.9926 5713.6241 187.4392 -334395.6628 21906.0164 0.0000 0.0000 43607.6374 -222352.1118 158.6326 -265959.7492 -222054.3369 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7896 20788.8700 5712.1327 187.6137 -334399.4573 21914.4805 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5706 -222054.3632 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4852 21930.8375 0.0000 0.0000 44220.2167 -222446.1643 160.8610 -266666.3811 -222055.6582 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7514 5700.1930 187.9286 -335513.7449 21959.1258 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4610 22015.0580 0.0000 0.0000 45607.7076 -222503.3107 165.9083 -268111.0183 -222081.1569 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2135 18932.9080 5697.5117 183.8526 -334925.7007 21985.5296 0.0000 0.0000 45502.7161 -222499.9692 165.5264 -268002.6852 -222069.0455 165.5264 -1837.1973 -2434.6759 921491.4634 -1837.1973 -2434.6759
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ENERGY: 276 19401.8499 19594.7509 5701.2546 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5273 -222412.2140 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1006 22041.3359 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5804 22096.4199 0.0000 0.0000 43975.0881 -222376.7279 159.9693 -266351.8160 -222065.2023 159.9693 -4044.3215 -2682.8389 921491.4634 -4044.3215 -2682.8389
TIMING: 280 CPU: 133.138, 0.469139/step Wall: 133.138, 0.469139/step, 0.0286696 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: 282 20943.7898 19615.5380 5669.9796 186.8360 -336942.5035 22176.7654 0.0000 0.0000 45823.3370 -222526.2577 166.6927 -268349.5947 -222063.3315 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
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ENERGY: 285 20203.3285 20789.9629 5707.3564 186.7145 -334827.1963 22167.0166 0.0000 0.0000 43418.2633 -222354.5542 157.9437 -265772.8175 -222053.5964 157.9437 -1010.8435 -2700.0819 921491.4634 -1010.8435 -2700.0819
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8229 -334658.1146 22176.6863 0.0000 0.0000 43785.6883 -222425.2209 159.2803 -266210.9093 -222054.0579 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1479 22200.2910 0.0000 0.0000 44282.9439 -222485.6056 161.0892 -266768.5495 -222055.7250 161.0892 -2148.9612 -2753.3343 921491.4634 -2148.9612 -2753.3343
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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 ============== 148.533
LDB: Largest compute 200 load 0.519999 is 1.1% of average load 45.784995
LDB: Average compute 0.064126 is 0.1% of average load 45.784995
LDB: TIME 148.535 LOAD: AVG 45.785 MAX 46.9804 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.35 MB
LDB: TIME 148.535 LOAD: AVG 45.785 MAX 46.9804 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.35 MB
LDB: TIME 148.55 LOAD: AVG 45.785 MAX 46.3055 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.35 MB
LDB: ============== END OF LOAD BALANCING =============== 148.551
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.552
Info: Initial time: 4 CPUs 0.469626 s/step 5.43549 days/ns 3224.35 MB memory
TIMING: 300 CPU: 142.529, 0.469568/step Wall: 142.529, 0.469568/step, 0.0260871 hours remaining, 3224.347656 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: 151.75, 0.461069/step Wall: 151.75, 0.461069/step, 0.0230535 hours remaining, 3224.347656 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: 160.968, 0.460872/step Wall: 160.968, 0.460872/step, 0.0204832 hours remaining, 3224.347656 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: 170.179, 0.46054/step Wall: 170.179, 0.46054/step, 0.0179099 hours remaining, 3224.347656 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: 380 CPU: 179.383, 0.460225/step Wall: 179.383, 0.460225/step, 0.0153408 hours remaining, 3224.347656 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: 386 19981.2273 19220.9464 5707.6637 175.9385 -334865.1820 22880.7958 0.0000 0.0000 44519.8591 -222378.7512 161.9510 -266898.6102 -222051.0434 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2861 19202.4844 5710.9354 174.6759 -335109.8728 22905.2744 0.0000 0.0000 44377.1820 -222372.0346 161.4320 -266749.2166 -222053.0046 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
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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 ============== 194.614
LDB: Largest compute 230 load 0.521057 is 1.1% of average load 45.677335
LDB: Average compute 0.063966 is 0.1% of average load 45.677335
LDB: TIME 194.616 LOAD: AVG 45.6773 MAX 46.0616 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.35 MB
LDB: TIME 194.617 LOAD: AVG 45.6773 MAX 46.0616 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.35 MB
LDB: TIME 194.617 LOAD: AVG 45.6773 MAX 46.0616 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.35 MB
LDB: ============== END OF LOAD BALANCING =============== 194.617
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.618
Info: Benchmark time: 4 CPUs 0.46056 s/step 5.33055 days/ns 3224.35 MB memory
TIMING: 400 CPU: 188.589, 0.460301/step Wall: 188.589, 0.460301/step, 0.0127861 hours remaining, 3224.347656 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: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5864 23063.1722 0.0000 0.0000 44200.2847 -222384.0419 160.7885 -266584.3266 -222052.9642 160.7885 -282.7610 -2224.6894 921491.4634 -282.7610 -2224.6894
ENERGY: 417 20031.3750 20631.3210 5709.0493 192.4696 -336373.1078 23072.1104 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7824 -222044.6991 161.2911 -112.4551 -2227.1697 921491.4634 -112.4551 -2227.1697
ENERGY: 418 20154.6651 20457.0910 5705.5847 188.6536 -336970.7871 23098.6731 0.0000 0.0000 44915.1420 -222450.9776 163.3889 -267366.1196 -222046.7091 163.3889 -671.8545 -2269.9919 921491.4634 -671.8545 -2269.9919
ENERGY: 419 20790.7635 20185.5524 5700.4810 184.6054 -337717.8759 23139.8026 0.0000 0.0000 45250.3098 -222466.3611 164.6082 -267716.6709 -222049.5948 164.6082 -1783.9422 -2336.6463 921491.4634 -1783.9422 -2336.6463
TIMING: 420 CPU: 197.768, 0.458945/step Wall: 197.768, 0.458945/step, 0.0101988 hours remaining, 3224.347656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8984 19324.4270 5689.6736 172.2145 -337416.8948 23180.6038 0.0000 0.0000 45183.9713 -222447.1061 164.3669 -267631.0775 -222051.5230 164.3669 -3955.8306 -2434.9306 921491.4634 -3955.8306 -2434.9306
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ENERGY: 425 19942.3359 19314.5604 5697.3263 169.6876 -335607.5195 23103.7916 0.0000 0.0000 44956.0484 -222423.7694 163.5377 -267379.8178 -222050.7959 163.5377 -1980.9651 -2297.0090 921491.4634 -1980.9651 -2297.0090
ENERGY: 426 19603.3345 19432.3065 5702.4947 169.0990 -335270.6867 23080.2887 0.0000 0.0000 44862.7390 -222420.4242 163.1983 -267283.1632 -222049.1086 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5316 19595.2894 5707.1504 168.7509 -335498.4312 23074.5001 0.0000 0.0000 44915.2781 -222438.9306 163.3894 -267354.2087 -222048.7334 163.3894 -741.9010 -2207.6355 921491.4634 -741.9010 -2207.6355
ENERGY: 428 20140.4230 19760.4167 5710.4628 168.5259 -336199.9849 23087.7671 0.0000 0.0000 44884.2600 -222448.1294 163.2766 -267332.3893 -222058.0546 163.2766 -935.5735 -2206.9585 921491.4634 -935.5735 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9875 20024.3736 5712.1700 168.1897 -338096.9202 23149.4486 0.0000 0.0000 44626.3105 -222402.4403 162.3383 -267028.7508 -222047.3912 162.3383 -2472.2460 -2268.0466 921491.4634 -2472.2460 -2268.0466
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ENERGY: 432 21768.3704 20188.6724 5710.3546 168.1086 -338651.2096 23176.0838 0.0000 0.0000 45177.9915 -222461.6282 164.3451 -267639.6197 -222065.9055 164.3451 -3350.2742 -2296.1499 921491.4634 -3350.2742 -2296.1499
ENERGY: 433 21200.9071 20275.9664 5710.3763 168.4633 -338164.0632 23162.2903 0.0000 0.0000 45192.9289 -222453.1308 164.3995 -267646.0597 -222052.5979 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3411 20338.1500 5711.6061 169.3247 -337394.2698 23140.7728 0.0000 0.0000 44883.1002 -222420.9748 163.2724 -267304.0751 -222051.1459 163.2724 -2694.3107 -2227.7886 921491.4634 -2694.3107 -2227.7886
ENERGY: 435 20235.2199 20362.4016 5714.0003 170.8455 -336680.6548 23123.4091 0.0000 0.0000 44675.9844 -222398.7941 162.5190 -267074.7785 -222049.5886 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9242 20349.9983 5717.2345 173.0864 -336303.8806 23119.9072 0.0000 0.0000 44847.0986 -222425.6315 163.1414 -267272.7302 -222059.6957 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5516 20329.5093 5720.9893 175.9827 -336411.9779 23136.3862 0.0000 0.0000 45159.2689 -222455.2899 164.2770 -267614.5588 -222050.7501 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1534 20278.6095 5724.6883 179.3848 -336899.4571 23173.5514 0.0000 0.0000 45148.1324 -222459.9372 164.2365 -267608.0696 -222051.5666 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 206.939, 0.458532/step Wall: 206.939, 0.458532/step, 0.0076422 hours remaining, 3224.347656 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 20036.2369 5729.7527 186.7202 -338123.1798 23276.2482 0.0000 0.0000 44417.5457 -222405.1077 161.5788 -266822.6533 -222059.4771 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5487 19860.0405 5730.3487 190.1146 -338361.1704 23313.2042 0.0000 0.0000 44502.6961 -222409.2176 161.8886 -266911.9137 -222050.0857 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6117 19664.5344 5729.4854 192.9412 -338090.1518 23327.1565 0.0000 0.0000 44880.6316 -222441.7911 163.2634 -267322.4227 -222049.7753 163.2634 -2710.5574 -2229.0696 921491.4634 -2710.5574 -2229.0696
ENERGY: 443 21064.3313 19487.0717 5727.6164 194.9329 -337369.3133 23320.0155 0.0000 0.0000 45118.1103 -222457.2352 164.1273 -267575.3455 -222048.5993 164.1273 -2448.1646 -2220.3530 921491.4634 -2448.1646 -2220.3530
ENERGY: 444 20449.3360 19357.2685 5725.4095 195.8735 -336464.1906 23301.5273 0.0000 0.0000 44987.7173 -222447.0586 163.6530 -267434.7759 -222057.9796 163.6530 -2090.2097 -2206.4399 921491.4634 -2090.2097 -2206.4399
ENERGY: 445 20125.5605 19307.2513 5723.6513 195.6942 -335759.3898 23283.8136 0.0000 0.0000 44708.7149 -222414.7040 162.6380 -267123.4189 -222046.5426 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6804 19324.9003 5722.5429 194.3235 -335494.5695 23276.0448 0.0000 0.0000 44620.2938 -222408.7837 162.3164 -267029.0775 -222046.1618 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4389 23282.7456 0.0000 0.0000 44816.5079 -222425.8048 163.0301 -267242.3127 -222046.8341 163.0301 -1993.3114 -2253.0602 921491.4634 -1993.3114 -2253.0602
ENERGY: 448 20187.5923 19583.6801 5722.5764 188.5554 -336503.1792 23303.8901 0.0000 0.0000 45065.6666 -222451.2183 163.9365 -267516.8849 -222059.3478 163.9365 -2372.1880 -2303.7898 921491.4634 -2372.1880 -2303.7898
ENERGY: 449 20877.4062 19832.6987 5723.5712 184.8596 -337500.9065 23334.5920 0.0000 0.0000 45101.1671 -222446.6116 164.0657 -267547.7788 -222047.7096 164.0657 -2827.1082 -2356.1406 921491.4634 -2827.1082 -2356.1406
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1301 5724.4776 181.0897 -338419.3243 23364.6240 0.0000 0.0000 44854.3091 -222432.2083 163.1676 -267286.5174 -222048.7858 163.1676 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5903 20357.7256 5724.7144 177.6517 -338952.0902 23381.8004 0.0000 0.0000 44542.6982 -222411.9097 162.0341 -266954.6079 -222048.8243 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1534 23378.0940 0.0000 0.0000 44452.9193 -222415.1440 161.7075 -266868.0633 -222059.6371 161.7075 -2659.9604 -2384.7568 921491.4634 -2659.9604 -2384.7568
ENERGY: 453 21399.8723 20641.1312 5722.2878 173.1350 -338392.7930 23354.5904 0.0000 0.0000 44683.7032 -222418.0731 162.5470 -267101.7762 -222043.5372 162.5470 -2048.3337 -2342.4669 921491.4634 -2048.3337 -2342.4669
ENERGY: 454 20248.3377 20654.1376 5720.2217 172.3637 -337567.1411 23320.6898 0.0000 0.0000 45008.1464 -222443.2442 163.7273 -267451.3906 -222041.8392 163.7273 -1453.4578 -2293.1451 921491.4634 -1453.4578 -2293.1451
ENERGY: 455 19486.7905 20584.7123 5718.4844 172.5169 -336790.6450 23290.4020 0.0000 0.0000 45086.5785 -222451.1604 164.0126 -267537.7389 -222040.8571 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3723 20440.6803 5717.7556 173.4248 -336350.1071 23274.9628 0.0000 0.0000 44811.4721 -222438.4393 163.0118 -267249.9113 -222055.3484 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4932 20251.9437 5718.5580 174.9241 -336395.8161 23277.8272 0.0000 0.0000 44521.8700 -222403.2000 161.9583 -266925.0700 -222049.4130 161.9583 -1906.4168 -2263.5014 921491.4634 -1906.4168 -2263.5014
ENERGY: 458 20585.8438 20019.2724 5720.7061 176.6081 -336835.0956 23294.7170 0.0000 0.0000 44632.7886 -222405.1597 162.3618 -267037.9482 -222051.2820 162.3618 -2684.6991 -2301.0428 921491.4634 -2684.6991 -2301.0428
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TIMING: 460 CPU: 216.097, 0.457934/step Wall: 216.097, 0.457934/step, 0.00508816 hours remaining, 3224.347656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6141 19597.9061 5728.0971 179.4910 -338014.3761 23341.7999 0.0000 0.0000 45423.8566 -222480.6113 165.2395 -267904.4679 -222064.6833 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
ENERGY: 461 21862.8764 19507.1072 5732.5753 180.4333 -338251.6208 23355.3933 0.0000 0.0000 45154.6139 -222458.6216 164.2601 -267613.2355 -222058.0504 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2255 19487.8105 5736.4823 180.9531 -337988.7161 23351.1084 0.0000 0.0000 44559.9293 -222408.2071 162.0968 -266968.1364 -222056.7211 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1789 19513.9011 5738.9361 181.1160 -337284.1019 23326.9475 0.0000 0.0000 44313.4574 -222388.5649 161.2002 -266702.0223 -222054.6239 161.2002 -2012.4422 -2264.0779 921491.4634 -2012.4422 -2264.0779
ENERGY: 464 20535.2457 19559.9269 5739.2518 181.0096 -336389.3832 23291.1940 0.0000 0.0000 44654.0269 -222428.7282 162.4391 -267082.7552 -222058.5727 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7826 19631.8852 5737.2899 180.7155 -335701.1528 23259.7390 0.0000 0.0000 45094.5690 -222474.1717 164.0416 -267568.7407 -222052.9385 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7723 23245.0603 0.0000 0.0000 45020.7909 -222467.6204 163.7733 -267488.4113 -222052.9783 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8072 19783.1743 5727.6704 179.7757 -335721.0952 23249.4530 0.0000 0.0000 44523.6667 -222415.5480 161.9649 -266939.2147 -222054.3492 161.9649 -1393.6033 -2232.5925 921491.4634 -1393.6033 -2232.5925
ENERGY: 468 20761.8484 19845.4944 5721.5090 179.2779 -336451.5672 23265.8126 0.0000 0.0000 44291.6588 -222385.9661 161.1209 -266677.6250 -222056.3589 161.1209 -2508.6718 -2314.1342 921491.4634 -2508.6718 -2314.1342
ENERGY: 469 21236.3019 19910.2023 5715.6824 178.8504 -337458.3209 23284.3962 0.0000 0.0000 44720.3206 -222412.5671 162.6802 -267132.8877 -222046.0748 162.6802 -3596.7410 -2405.7974 921491.4634 -3596.7410 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8936 5710.9491 178.5947 -338383.2516 23297.0674 0.0000 0.0000 45346.4578 -222466.1155 164.9580 -267812.5733 -222047.6087 164.9580 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8679 20054.6838 5707.9626 178.5890 -338913.2460 23297.5087 0.0000 0.0000 45471.3371 -222470.2969 165.4122 -267941.6340 -222047.5358 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2361 20161.5554 5707.0091 178.9047 -338870.6773 23279.4493 0.0000 0.0000 45028.5300 -222433.9927 163.8014 -267462.5227 -222059.5056 163.8014 -3659.7360 -2479.9185 921491.4634 -3659.7360 -2479.9185
ENERGY: 473 21866.1361 20289.3430 5707.9843 179.6165 -338307.7196 23240.7366 0.0000 0.0000 44634.5176 -222389.3856 162.3681 -267023.9033 -222043.8537 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9703 20372.0989 5710.2160 180.7466 -337438.4557 23189.2351 0.0000 0.0000 44733.2307 -222409.9579 162.7272 -267143.1886 -222041.2617 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
ENERGY: 475 19674.2080 20371.7677 5712.9876 182.2512 -336604.2317 23142.3822 0.0000 0.0000 45070.2138 -222450.4214 163.9531 -267520.6351 -222039.4527 163.9531 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7863 20282.0276 5715.7683 184.0125 -336100.0906 23115.8471 0.0000 0.0000 45106.0632 -222460.5857 164.0835 -267566.6489 -222053.6134 164.0835 -92.4049 -2183.0651 921491.4634 -92.4049 -2183.0651
ENERGY: 477 19704.7251 20145.9813 5718.4976 185.9230 -336101.8791 23114.2944 0.0000 0.0000 44812.3207 -222420.1371 163.0149 -267232.4577 -222044.8407 163.0149 -667.4946 -2171.8227 921491.4634 -667.4946 -2171.8227
ENERGY: 478 20493.4778 19974.7636 5721.0254 187.7262 -336537.4036 23131.2464 0.0000 0.0000 44627.0331 -222402.1311 162.3409 -267029.1641 -222047.4103 162.3409 -1807.1604 -2198.7955 921491.4634 -1807.1604 -2198.7955
ENERGY: 479 21125.3060 19793.3953 5723.3295 189.2099 -337215.5835 23156.6776 0.0000 0.0000 44802.1574 -222425.5079 162.9779 -267227.6653 -222050.5456 162.9779 -3089.8516 -2246.7916 921491.4634 -3089.8516 -2246.7916
TIMING: 480 CPU: 225.248, 0.457549/step Wall: 225.248, 0.457549/step, 0.00254194 hours remaining, 3224.347656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0329 19623.1960 5725.3111 190.1900 -337854.6779 23181.5122 0.0000 0.0000 45051.6809 -222458.7546 163.8856 -267510.4356 -222064.6206 163.8856 -4077.7325 -2291.4890 921491.4634 -4077.7325 -2291.4890
ENERGY: 481 22092.4854 19510.0429 5727.0952 190.6351 -338199.2472 23196.7963 0.0000 0.0000 45041.3362 -222440.8559 163.8480 -267482.1922 -222052.5262 163.8480 -4466.2391 -2305.6730 921491.4634 -4466.2391 -2305.6730
ENERGY: 482 22186.3465 19466.6791 5728.4964 190.3598 -338044.5407 23192.7478 0.0000 0.0000 44865.8514 -222414.0597 163.2096 -267279.9111 -222051.4109 163.2096 -4059.3094 -2278.0612 921491.4634 -4059.3094 -2278.0612
ENERGY: 483 21553.1410 19511.5743 5729.5660 189.3227 -337426.2174 23165.8744 0.0000 0.0000 44861.8963 -222414.8426 163.1952 -267276.7390 -222048.7668 163.1952 -2964.1717 -2216.4113 921491.4634 -2964.1717 -2216.4113
ENERGY: 484 20460.8924 19631.1938 5730.2465 187.5455 -336590.8877 23126.1355 0.0000 0.0000 45003.6024 -222451.2716 163.7107 -267454.8740 -222059.8741 163.7107 -1565.2422 -2143.1849 921491.4634 -1565.2422 -2143.1849
ENERGY: 485 19688.7721 19800.2991 5730.5256 185.2458 -335902.5862 23092.8475 0.0000 0.0000 44955.5716 -222449.3244 163.5360 -267404.8961 -222045.9605 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5429 19954.8177 5729.7198 182.4662 -335612.3567 23080.3812 0.0000 0.0000 44645.9110 -222416.5180 162.4096 -267062.4290 -222044.6759 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0927 20072.0214 5727.4347 179.4360 -335846.4485 23091.0549 0.0000 0.0000 44503.3490 -222392.0598 161.8910 -266895.4088 -222045.2406 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2101 20156.1363 5723.5441 176.4338 -336552.5454 23118.8621 0.0000 0.0000 44827.0555 -222425.3036 163.0685 -267252.3591 -222057.1933 163.0685 -1145.7533 -2194.6678 921491.4634 -1145.7533 -2194.6678
ENERGY: 489 20526.8875 20236.4611 5718.5749 173.8639 -337540.4659 23156.7314 0.0000 0.0000 45266.1003 -222461.8468 164.6656 -267727.9471 -222045.6081 164.6656 -2511.2405 -2316.7065 921491.4634 -2511.2405 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7494 20292.9025 5712.8912 171.8438 -338458.1365 23196.4882 0.0000 0.0000 45213.5627 -222459.6988 164.4745 -267673.2615 -222048.2203 164.4745 -3823.4039 -2437.4153 921491.4634 -3823.4039 -2437.4153
ENERGY: 491 22430.4642 20312.1364 5707.3795 170.5404 -338984.5797 23226.0941 0.0000 0.0000 44733.0087 -222404.9563 162.7264 -267137.9650 -222049.4633 162.7264 -4629.6933 -2524.6213 921491.4634 -4629.6933 -2524.6213
ENERGY: 492 22612.9546 20289.6815 5702.9945 170.0208 -338937.5820 23232.7209 0.0000 0.0000 44542.1949 -222387.0148 162.0323 -266929.2097 -222060.3858 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2185 20260.7379 5700.7779 170.3201 -338358.0636 23214.0540 0.0000 0.0000 45033.8229 -222420.1323 163.8207 -267453.9552 -222046.5898 163.8207 -3796.3817 -2540.0995 921491.4634 -3796.3817 -2540.0995
ENERGY: 494 20068.3364 20225.0265 5700.9806 171.2193 -337454.3837 23183.0799 0.0000 0.0000 45622.2474 -222483.4937 165.9612 -268105.7411 -222044.0865 165.9612 -2500.8989 -2482.1067 921491.4634 -2500.8989 -2482.1067
ENERGY: 495 19383.2463 20186.8303 5703.5926 172.5416 -336566.9889 23159.4629 0.0000 0.0000 45484.1230 -222477.1922 165.4587 -267961.3152 -222041.5561 165.4587 -1249.6835 -2407.3055 921491.4634 -1249.6835 -2407.3055
ENERGY: 496 19722.4834 20130.6473 5708.0350 174.0933 -335998.7156 23154.2640 0.0000 0.0000 44699.5271 -222409.6655 162.6046 -267109.1926 -222049.0665 162.6046 -478.8994 -2343.4749 921491.4634 -478.8994 -2343.4749
ENERGY: 497 20212.6668 20059.9174 5713.4613 175.7242 -335952.5044 23166.3550 0.0000 0.0000 44261.0292 -222363.3505 161.0095 -266624.3798 -222042.7495 161.0095 -421.0230 -2316.7926 921491.4634 -421.0230 -2316.7926
ENERGY: 498 20182.0166 19957.1212 5718.5597 177.2604 -336366.4937 23189.3590 0.0000 0.0000 44728.2540 -222413.9228 162.7091 -267142.1768 -222044.5215 162.7091 -993.4679 -2331.6471 921491.4634 -993.4679 -2331.6471
ENERGY: 499 20158.0683 19847.7304 5722.4090 178.6361 -337058.4828 23219.2409 0.0000 0.0000 45439.2648 -222493.1334 165.2956 -267932.3983 -222047.2057 165.2956 -2020.8688 -2376.3389 921491.4634 -2020.8688 -2376.3389
Info: Benchmark time: 4 CPUs 0.457391 s/step 5.29388 days/ns 3224.35 MB memory
TIMING: 500 CPU: 234.328, 0.454002/step Wall: 234.328, 0.454002/step, 0 hours remaining, 3224.347656 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 20974.8942 19756.6579 5724.4523 179.8271 -337741.4198 23251.1014 0.0000 0.0000 45359.0781 -222495.4089 165.0039 -267854.4870 -222061.0907 165.0039 -3197.5169 -2425.4140 921491.4634 -3197.5169 -2425.4140
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.797 MB of memory in use
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.797 MB of memory in use
====================================================
WallClock: 241.262527 CPUTime: 241.262527 Memory: 3229.796875 MB
[Partition 0][Node 0] End of program
Application 102570377 resources: utime ~948s, stime ~18s, Rss ~127212, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6204829514871848496.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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