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 ============== 54.2652
LDB: Largest compute 200 load 0.431490 is 1.2% of average load 36.792496
LDB: Average compute 0.051538 is 0.1% of average load 36.792496
LDB: Partitioning computes with target load 3.679250
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055487
LDB: ============== END OF LOAD BALANCING =============== 54.2673
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2682
Info: Initial time: 4 CPUs 0.473211 s/step 5.47698 days/ns 3221.49 MB memory
TIMING: 100 CPU: 48.2922, 0.472165/step Wall: 48.2922, 0.472165/step, 0.0524628 hours remaining, 3221.488281 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 ============== 63.6942
LDB: ============== END OF LOAD BALANCING =============== 63.6942
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6947
TIMING: 120 CPU: 57.7189, 0.471334/step Wall: 57.7189, 0.471334/step, 0.049752 hours remaining, 3221.671875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.14, 0.471054/step Wall: 67.14, 0.471054/step, 0.0471054 hours remaining, 3221.949219 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 20599.9072 5758.8570 173.6449 -332218.9144 20684.3829 0.0000 0.0000 44137.5523 -222552.1217 160.5603 -266689.6740 -222166.8046 160.5603 -219.5095 -2571.5313 921491.4634 -219.5095 -2571.5313
ENERGY: 157 20043.0837 19943.2664 5753.0946 171.8900 -332363.0656 20715.7864 0.0000 0.0000 43325.6935 -222410.2509 157.6070 -265735.9444 -222155.5007 157.6070 -38.8543 -2554.7665 921491.4634 -38.8543 -2554.7665
ENERGY: 158 21695.0846 19425.3238 5743.5666 171.3409 -332829.8100 20761.5805 0.0000 0.0000 42713.6821 -222319.2313 155.3806 -265032.9135 -222157.3218 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 76.5486, 0.470433/step Wall: 76.5486, 0.470433/step, 0.0444298 hours remaining, 3222.136719 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 21093.2844 18859.3046 5717.0749 174.4915 -333735.9153 20833.5471 0.0000 0.0000 44515.8596 -222542.3531 161.9365 -267058.2127 -222175.6784 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6002 18685.5960 5704.9781 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7113 -222493.9565 160.8628 -266714.6678 -222160.9736 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1494 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6068 -222342.9102 156.6790 -265413.5171 -222161.4905 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9851 18346.8658 5696.1509 188.4544 -332368.8224 20884.6195 0.0000 0.0000 43005.6963 -222309.0503 156.4429 -265314.7466 -222160.7799 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
ENERGY: 164 19652.8066 18261.0401 5702.5306 194.0206 -331567.4470 20861.9109 0.0000 0.0000 44426.5345 -222468.6036 161.6115 -266895.1382 -222170.9032 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
ENERGY: 165 18074.0952 18343.8152 5716.1638 199.2019 -331183.0466 20849.6742 0.0000 0.0000 45425.8564 -222574.2398 165.2468 -268000.0963 -222153.1696 165.2468 -2737.5185 -2867.1447 921491.4634 -2737.5185 -2867.1447
ENERGY: 166 18979.7070 18650.1655 5734.9735 203.3281 -331407.1002 20870.8939 0.0000 0.0000 44483.6890 -222484.3433 161.8194 -266968.0323 -222151.2325 161.8194 -1964.3636 -2870.3839 921491.4634 -1964.3636 -2870.3839
ENERGY: 167 21026.8306 19216.2868 5755.9248 205.8794 -332212.1860 20917.6388 0.0000 0.0000 42775.8063 -222313.8193 155.6066 -265089.6256 -222150.5296 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7707 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
ENERGY: 169 20648.4666 20870.4069 5789.9166 204.9287 -334596.5071 20994.5722 0.0000 0.0000 43600.1910 -222488.0251 158.6055 -266088.2161 -222133.5315 158.6055 -2095.8777 -2988.7948 921491.4634 -2095.8777 -2988.7948
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0015 21574.3800 5797.0542 201.1981 -335480.2501 21017.8093 0.0000 0.0000 43834.2688 -222570.5382 159.4570 -266404.8070 -222135.2420 159.4570 -2696.1968 -3030.4961 921491.4634 -2696.1968 -3030.4961
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ENERGY: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2126 20943.2095 0.0000 0.0000 44722.5121 -222468.0276 162.6882 -267190.5397 -222127.3368 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2626 -222252.6194 155.3827 -264966.8820 -222125.5135 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1546 -222314.9823 156.7902 -265416.1368 -222126.1320 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 85.9452, 0.46983/step Wall: 85.9452, 0.46983/step, 0.0417627 hours remaining, 3222.136719 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 19800.0773 5732.0748 164.8150 -333691.2985 21109.5294 0.0000 0.0000 40770.0181 -222192.4383 148.3101 -262962.4565 -222132.7634 148.3101 -2461.5986 -2635.7204 921491.4634 -2461.5986 -2635.7204
ENERGY: 183 22149.3487 19677.1535 5722.7616 169.5349 -332921.8739 21084.4911 0.0000 0.0000 41834.8235 -222283.7606 152.1836 -264118.5842 -222131.2589 152.1836 -1990.8046 -2626.5158 921491.4634 -1990.8046 -2626.5158
ENERGY: 184 18376.8756 19424.9917 5710.5468 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8616 -222144.6140 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
ENERGY: 185 16957.7745 19234.6874 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4988 -222653.6516 167.8792 -268803.1504 -222128.1654 167.8792 -1752.9883 -2679.2077 921491.4634 -1752.9883 -2679.2077
ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3690 161.4844 -266826.9578 -222129.2886 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0857 -222130.9078 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
ENERGY: 188 22101.1830 19886.6774 5676.0119 186.3502 -334382.7610 21093.9045 0.0000 0.0000 43113.1616 -222325.4724 156.8338 -265438.6340 -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 20848.4447 5686.3597 187.0164 -336318.7429 21106.5488 0.0000 0.0000 45533.2634 -222615.0372 165.6375 -268148.3007 -222116.1588 165.6375 -4141.9211 -2962.8209 921491.4634 -4141.9211 -2962.8209
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ENERGY: 196 19755.8661 19594.9319 5717.4229 183.5644 -332319.6949 21082.8579 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0517 -222096.3127 158.6180 -1480.5939 -2574.8092 921491.4634 -1480.5939 -2574.8092
ENERGY: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
ENERGY: 199 20113.4049 18634.4040 5710.3429 188.2374 -334151.8588 21182.1777 0.0000 0.0000 45722.9588 -222600.3331 166.3276 -268323.2918 -222093.2751 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.32
LDB: Largest compute 200 load 0.425917 is 1.2% of average load 36.608603
LDB: Average compute 0.051275 is 0.1% of average load 36.608603
LDB: TIME 101.322 LOAD: AVG 36.6086 MAX 37.6252 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.52 MB
LDB: TIME 101.324 LOAD: AVG 36.6086 MAX 37.4937 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.52 MB
LDB: ============== END OF LOAD BALANCING =============== 101.326
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.329
Info: Initial time: 4 CPUs 0.470497 s/step 5.44557 days/ns 3223.59 MB memory
TIMING: 200 CPU: 95.3519, 0.470333/step Wall: 95.3519, 0.470333/step, 0.0391944 hours remaining, 3223.585938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1600 -222569.9771 164.8586 -267889.1371 -222114.5244 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7132 21239.1341 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4437 -222100.1077 157.2315 -4546.2005 -2661.1901 921491.4634 -4546.2005 -2661.1901
ENERGY: 202 23622.8116 18850.8452 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0392 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9558 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0790 19868.9416 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7149 -222526.2117 162.5725 -267216.9266 -222099.8060 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
ENERGY: 206 20668.8901 20170.9987 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0585 -222274.9356 154.3816 -264713.9941 -222100.3397 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6915 -222226.4459 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2415 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2568 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8929 21415.1478 0.0000 0.0000 43031.7286 -222254.1129 156.5376 -265285.8415 -222106.8542 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8221 5710.0295 176.0352 -336013.6228 21412.5984 0.0000 0.0000 42995.1639 -222249.7027 156.4046 -265244.8666 -222104.2319 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2161 19524.5247 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6589 -222093.7408 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3323 21379.5597 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5664 -222091.0448 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1061 21436.4837 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2707 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1150 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.762, 0.470505/step Wall: 104.762, 0.470505/step, 0.0365948 hours remaining, 3223.585938 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: 114.163, 0.470036/step Wall: 114.163, 0.470036/step, 0.0339471 hours remaining, 3223.585938 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 22110.7717 20111.8209 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7069 21770.4749 0.0000 0.0000 45537.0691 -222575.9246 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6009 21720.5677 0.0000 0.0000 45629.1663 -222554.1193 165.9864 -268183.2857 -222078.7770 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7598 5725.7784 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5249 -222360.5916 160.6730 -266529.1165 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5287 19979.6438 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1913 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9363 -222595.6865 168.0117 -268781.6229 -222090.3127 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: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1808 21784.0537 0.0000 0.0000 45520.0193 -222581.3411 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
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ENERGY: 255 20324.2311 19109.4103 5707.6062 196.0620 -333099.9235 21746.1516 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4622 -222078.3975 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5975 21757.6848 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1875 5681.1759 194.7976 -333481.0043 21780.2420 0.0000 0.0000 44488.5470 -222428.4890 161.8371 -266917.0360 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0668 5673.2911 193.6684 -334373.1549 21817.5078 0.0000 0.0000 45796.2579 -222556.7762 166.5942 -268353.0341 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.551, 0.469438/step Wall: 123.551, 0.469438/step, 0.0312959 hours remaining, 3223.890625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7861 21947.6075 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
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ENERGY: 264 19385.2259 20436.4304 5710.6950 187.5052 -334855.9510 21907.7773 0.0000 0.0000 44751.4785 -222476.8388 162.7936 -267228.3172 -222069.1982 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 266 20048.7898 20788.8698 5712.1327 187.6137 -334399.4575 21914.4806 0.0000 0.0000 43399.3797 -222348.1911 157.8750 -265747.5707 -222054.3633 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2676 5707.0583 187.8501 -334831.4854 21930.8375 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6583 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9161 20375.7514 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
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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 22620.1934 19450.9166 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4614 22015.0581 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1281 21971.0411 0.0000 0.0000 44028.5271 -222412.2139 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8111 -222481.8216 162.3619 -267114.6327 -222061.0986 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9599 -222063.4129 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
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TIMING: 280 CPU: 132.935, 0.46919/step Wall: 132.935, 0.46919/step, 0.0286727 hours remaining, 3223.890625 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: 286 19396.6308 20966.5621 5721.5031 185.8229 -334658.1147 22176.6864 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1189 20856.7822 5731.9346 184.4714 -334918.1479 22200.2911 0.0000 0.0000 44282.9437 -222485.6060 161.0892 -266768.5496 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3147 22237.9038 0.0000 0.0000 44116.9903 -222455.2376 160.4855 -266572.2278 -222066.9053 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 ============== 148.315
LDB: Largest compute 200 load 0.519700 is 1.1% of average load 45.668706
LDB: Average compute 0.063964 is 0.1% of average load 45.668706
LDB: TIME 148.317 LOAD: AVG 45.6687 MAX 46.9854 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.317 LOAD: AVG 45.6687 MAX 46.9854 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.333 LOAD: AVG 45.6687 MAX 46.1912 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.334
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.336
Info: Initial time: 4 CPUs 0.469521 s/step 5.43427 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.325, 0.469511/step Wall: 142.325, 0.469511/step, 0.0260839 hours remaining, 3224.089844 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: 151.545, 0.460973/step Wall: 151.545, 0.460973/step, 0.0230486 hours remaining, 3224.089844 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: 160.758, 0.460628/step Wall: 160.758, 0.460628/step, 0.0204723 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 169.962, 0.460243/step Wall: 169.962, 0.460243/step, 0.0178983 hours remaining, 3224.089844 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 20646.4606 20251.1593 5706.5521 182.3248 -335763.5796 22794.3772 0.0000 0.0000 43848.2753 -222334.4302 159.5080 -266182.7055 -222041.4012 159.5080 -1819.5855 -2472.4985 921491.4634 -1819.5855 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2274 22821.5835 0.0000 0.0000 44474.7535 -222423.6620 161.7869 -266898.4155 -222044.3967 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.16, 0.459898/step Wall: 179.16, 0.459898/step, 0.0153299 hours remaining, 3224.089844 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 19625.4115 19596.0353 5710.5349 179.0647 -336052.0487 22884.2531 0.0000 0.0000 45539.1833 -222517.5659 165.6590 -268056.7492 -222062.0927 165.6590 -569.2381 -2166.9360 921491.4634 -569.2381 -2166.9360
ENERGY: 385 19327.8181 19356.8911 5707.7752 177.4354 -335210.6401 22871.6140 0.0000 0.0000 45299.7171 -222469.3891 164.7879 -267769.1062 -222051.0995 164.7879 215.3513 -2064.3638 921491.4634 215.3513 -2064.3638
ENERGY: 386 19981.2273 19220.9464 5707.6638 175.9385 -334865.1817 22880.7954 0.0000 0.0000 44519.8587 -222378.7517 161.9510 -266898.6104 -222051.0439 161.9510 122.6668 -2011.2430 921491.4634 122.6668 -2011.2430
ENERGY: 387 20367.2859 19202.4844 5710.9354 174.6759 -335109.8724 22905.2739 0.0000 0.0000 44377.1817 -222372.0351 161.4320 -266749.2168 -222053.0051 161.4320 -738.9586 -2019.1691 921491.4634 -738.9586 -2019.1691
ENERGY: 388 20282.3987 19280.0168 5717.2934 173.7038 -335824.1516 22938.2896 0.0000 0.0000 44972.7761 -222459.6732 163.5986 -267432.4494 -222067.4819 163.5986 -2063.8556 -2076.2824 921491.4634 -2063.8556 -2076.2824
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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 19692.8115 20133.3593 5716.9814 176.0456 -336812.3378 23014.0578 0.0000 0.0000 45592.7324 -222486.3497 165.8538 -268079.0822 -222045.7223 165.8538 -1710.2238 -2443.6967 921491.4634 -1710.2238 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.369
LDB: Largest compute 230 load 0.525324 is 1.2% of average load 45.642116
LDB: Average compute 0.063914 is 0.1% of average load 45.642116
LDB: TIME 194.371 LOAD: AVG 45.6421 MAX 46.0333 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.372 LOAD: AVG 45.6421 MAX 46.0333 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.372 LOAD: AVG 45.6421 MAX 46.0333 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.372
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.373
Info: Benchmark time: 4 CPUs 0.460275 s/step 5.32726 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.357, 0.459835/step Wall: 188.357, 0.459835/step, 0.0127732 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9696 19778.4827 5715.7218 174.2695 -337239.9784 23077.8397 0.0000 0.0000 45225.5967 -222483.0985 164.5183 -267708.6952 -222046.6854 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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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: 413 21130.1418 20138.5249 5699.9334 199.7191 -337872.5325 23125.1116 0.0000 0.0000 45113.2147 -222465.8870 164.1095 -267579.1017 -222055.3453 164.1095 -3850.6271 -2398.9550 921491.4634 -3850.6271 -2398.9550
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ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5867 23063.1717 0.0000 0.0000 44200.2855 -222384.0420 160.7885 -266584.3275 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3749 20631.3210 5709.0494 192.4696 -336373.1081 23072.1101 0.0000 0.0000 44338.4623 -222398.3209 161.2911 -266736.7831 -222044.6992 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6536 -336970.7874 23098.6729 0.0000 0.0000 44915.1425 -222450.9777 163.3889 -267366.1203 -222046.7092 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
ENERGY: 419 20790.7631 20185.5525 5700.4811 184.6055 -337717.8763 23139.8027 0.0000 0.0000 45250.3104 -222466.3612 164.6082 -267716.6716 -222049.5949 164.6082 -1783.9421 -2336.6463 921491.4634 -1783.9421 -2336.6463
TIMING: 420 CPU: 197.534, 0.458827/step Wall: 197.534, 0.458827/step, 0.0101962 hours remaining, 3224.089844 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 21418.8987 19324.4274 5689.6736 172.2146 -337416.8968 23180.6045 0.0000 0.0000 45183.9717 -222447.1063 164.3669 -267631.0780 -222051.5232 164.3669 -3955.8306 -2434.9304 921491.4634 -3955.8306 -2434.9304
ENERGY: 424 20531.3311 19270.7818 5692.6542 170.6563 -336406.2778 23140.4652 0.0000 0.0000 45151.0461 -222449.3431 164.2471 -267600.3892 -222060.4127 164.2471 -3030.1607 -2370.2032 921491.4634 -3030.1607 -2370.2032
ENERGY: 425 19942.3362 19314.5611 5697.3263 169.6877 -335607.5221 23103.7926 0.0000 0.0000 44956.0484 -222423.7698 163.5377 -267379.8182 -222050.7963 163.5377 -1980.9651 -2297.0088 921491.4634 -1980.9651 -2297.0088
ENERGY: 426 19603.3348 19432.3074 5702.4947 169.0990 -335270.6891 23080.2899 0.0000 0.0000 44862.7387 -222420.4246 163.1983 -267283.1634 -222049.1090 163.1983 -1125.8049 -2237.7213 921491.4634 -1125.8049 -2237.7213
ENERGY: 427 19598.5317 19595.2903 5707.1504 168.7509 -335498.4334 23074.5013 0.0000 0.0000 44915.2777 -222438.9310 163.3894 -267354.2087 -222048.7338 163.3894 -741.9007 -2207.6353 921491.4634 -741.9007 -2207.6353
ENERGY: 428 20140.4229 19760.4175 5710.4628 168.5259 -336199.9867 23087.7684 0.0000 0.0000 44884.2595 -222448.1297 163.2766 -267332.3892 -222058.0549 163.2766 -935.5730 -2206.9582 921491.4634 -935.5730 -2206.9582
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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 22013.9872 20024.3740 5712.1700 168.1897 -338096.9216 23149.4500 0.0000 0.0000 44626.3101 -222402.4406 162.3383 -267028.7507 -222047.3915 162.3383 -2472.2454 -2268.0463 921491.4634 -2472.2454 -2268.0463
ENERGY: 431 22204.1021 20111.4154 5711.2600 168.0704 -338644.7655 23172.3812 0.0000 0.0000 44858.4631 -222419.0732 163.1828 -267277.5364 -222048.7169 163.1828 -3116.2803 -2293.5589 921491.4634 -3116.2803 -2293.5589
ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2113 23176.0853 0.0000 0.0000 45177.9910 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2740 -2296.1496 921491.4634 -3350.2740 -2296.1496
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0649 23162.2918 0.0000 0.0000 45192.9284 -222453.1314 164.3995 -267646.0598 -222052.5985 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3413 20338.1499 5711.6061 169.3247 -337394.2716 23140.7743 0.0000 0.0000 44883.0998 -222420.9754 163.2724 -267304.0753 -222051.1465 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6567 23123.4105 0.0000 0.0000 44675.9840 -222398.7947 162.5190 -267074.7788 -222049.5892 162.5190 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
ENERGY: 436 19670.9244 20349.9982 5717.2345 173.0864 -336303.8822 23119.9086 0.0000 0.0000 44847.0985 -222425.6317 163.1414 -267272.7302 -222059.6959 163.1414 -1520.6596 -2145.1614 921491.4634 -1520.6596 -2145.1614
ENERGY: 437 19434.5517 20329.5092 5720.9893 175.9827 -336411.9795 23136.3876 0.0000 0.0000 45159.2689 -222455.2900 164.2770 -267614.5590 -222050.7502 164.2770 -1319.1167 -2134.4846 921491.4634 -1319.1167 -2134.4846
ENERGY: 438 19935.1533 20278.6095 5724.6884 179.3848 -336899.4587 23173.5527 0.0000 0.0000 45148.1327 -222459.9373 164.2365 -267608.0700 -222051.5668 164.2365 -1493.0940 -2145.0879 921491.4634 -1493.0940 -2145.0879
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TIMING: 440 CPU: 206.701, 0.458364/step Wall: 206.701, 0.458364/step, 0.0076394 hours remaining, 3224.089844 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 22071.5682 20036.2372 5729.7527 186.7201 -338123.1818 23276.2494 0.0000 0.0000 44417.5464 -222405.1077 161.5788 -266822.6541 -222059.4771 161.5788 -2408.4610 -2197.9669 921491.4634 -2408.4610 -2197.9669
ENERGY: 441 22355.5486 19860.0410 5730.3488 190.1145 -338361.1727 23313.2053 0.0000 0.0000 44502.6968 -222409.2177 161.8886 -266911.9145 -222050.0858 161.8886 -2716.1025 -2221.5311 921491.4634 -2716.1025 -2221.5311
ENERGY: 442 21853.6119 19664.5352 5729.4854 192.9411 -338090.1545 23327.1576 0.0000 0.0000 44880.6322 -222441.7911 163.2634 -267322.4234 -222049.7753 163.2634 -2710.5573 -2229.0694 921491.4634 -2710.5573 -2229.0694
ENERGY: 443 21064.3317 19487.0726 5727.6165 194.9329 -337369.3163 23320.0166 0.0000 0.0000 45118.1108 -222457.2352 164.1273 -267575.3460 -222048.5994 164.1273 -2448.1645 -2220.3528 921491.4634 -2448.1645 -2220.3528
ENERGY: 444 20449.3365 19357.2694 5725.4095 195.8735 -336464.1936 23301.5284 0.0000 0.0000 44987.7177 -222447.0587 163.6530 -267434.7764 -222057.9797 163.6530 -2090.2098 -2206.4398 921491.4634 -2090.2098 -2206.4398
ENERGY: 445 20125.5609 19307.2522 5723.6513 195.6942 -335759.3927 23283.8147 0.0000 0.0000 44708.7154 -222414.7040 162.6380 -267123.4194 -222046.5427 162.6380 -1846.9625 -2201.6924 921491.4634 -1846.9625 -2201.6924
ENERGY: 446 19947.6806 19324.9010 5722.5430 194.3235 -335494.5720 23276.0459 0.0000 0.0000 44620.2943 -222408.7838 162.3164 -267029.0781 -222046.1619 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2849 19416.0213 5722.2107 191.8641 -335769.4409 23282.7465 0.0000 0.0000 44816.5084 -222425.8049 163.0301 -267242.3133 -222046.8342 163.0301 -1993.3111 -2253.0601 921491.4634 -1993.3111 -2253.0601
ENERGY: 448 20187.5922 19583.6801 5722.5765 188.5554 -336503.1808 23303.8911 0.0000 0.0000 45065.6670 -222451.2186 163.9365 -267516.8856 -222059.3481 163.9365 -2372.1877 -2303.7897 921491.4634 -2372.1877 -2303.7897
ENERGY: 449 20877.4059 19832.6986 5723.5713 184.8596 -337500.9076 23334.5930 0.0000 0.0000 45101.1674 -222446.6119 164.0657 -267547.7793 -222047.7099 164.0657 -2827.1079 -2356.1405 921491.4634 -2827.1079 -2356.1405
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1299 5724.4776 181.0898 -338419.3251 23364.6249 0.0000 0.0000 44854.3092 -222432.2087 163.1676 -267286.5178 -222048.7861 163.1676 -3116.6754 -2394.3894 921491.4634 -3116.6754 -2394.3894
ENERGY: 451 22355.5901 20357.7254 5724.7144 177.6517 -338952.0909 23381.8013 0.0000 0.0000 44542.6981 -222411.9100 162.0341 -266954.6081 -222048.8246 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2014 20536.0133 5723.8953 174.8859 -338927.1536 23378.0949 0.0000 0.0000 44452.9189 -222415.1438 161.7075 -266868.0628 -222059.6369 161.7075 -2659.9603 -2384.7566 921491.4634 -2659.9603 -2384.7566
ENERGY: 453 21399.8726 20641.1310 5722.2879 173.1350 -338392.7933 23354.5913 0.0000 0.0000 44683.7027 -222418.0729 162.5470 -267101.7755 -222043.5370 162.5470 -2048.3336 -2342.4666 921491.4634 -2048.3336 -2342.4666
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1415 23320.6906 0.0000 0.0000 45008.1459 -222443.2440 163.7273 -267451.3899 -222041.8390 163.7273 -1453.4577 -2293.1448 921491.4634 -1453.4577 -2293.1448
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6453 23290.4027 0.0000 0.0000 45086.5784 -222451.1602 164.0126 -267537.7385 -222040.8568 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1081 23274.9635 0.0000 0.0000 44811.4722 -222438.4398 163.0118 -267249.9120 -222055.3489 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8171 23277.8277 0.0000 0.0000 44521.8704 -222403.2005 161.9583 -266925.0709 -222049.4135 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8434 20019.2722 5720.7061 176.6081 -336835.0965 23294.7175 0.0000 0.0000 44632.7891 -222405.1602 162.3618 -267037.9492 -222051.2825 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4944 19784.9689 5724.0022 178.1985 -337468.1650 23318.6984 0.0000 0.0000 45113.9371 -222444.8655 164.1121 -267558.8027 -222053.1414 164.1121 -3350.5834 -2341.5797 921491.4634 -3350.5834 -2341.5797
TIMING: 460 CPU: 215.854, 0.457682/step Wall: 215.854, 0.457682/step, 0.00508536 hours remaining, 3224.089844 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 21262.6138 19597.9063 5728.0972 179.4910 -338014.3774 23341.8002 0.0000 0.0000 45423.8571 -222480.6118 165.2395 -267904.4688 -222064.6837 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8763 19507.1076 5732.5753 180.4333 -338251.6223 23355.3935 0.0000 0.0000 45154.6143 -222458.6221 164.2601 -267613.2363 -222058.0508 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2257 19487.8111 5736.4823 180.9531 -337988.7178 23351.1086 0.0000 0.0000 44559.9296 -222408.2076 162.0968 -266968.1371 -222056.7215 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1793 19513.9018 5738.9361 181.1160 -337284.1037 23326.9476 0.0000 0.0000 44313.4575 -222388.5654 161.2002 -266702.0228 -222054.6243 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2461 19559.9275 5739.2518 181.0096 -336389.3849 23291.1940 0.0000 0.0000 44654.0271 -222428.7287 162.4391 -267082.7558 -222058.5731 162.4391 -1050.9229 -2205.5271 921491.4634 -1050.9229 -2205.5271
ENERGY: 465 19322.7828 19631.8857 5737.2899 180.7155 -335701.1542 23259.7389 0.0000 0.0000 45094.5692 -222474.1722 164.0416 -267568.7414 -222052.9390 164.0416 -512.3349 -2174.4011 921491.4634 -512.3349 -2174.4011
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7732 23245.0600 0.0000 0.0000 45020.7912 -222467.6209 163.7733 -267488.4121 -222052.9788 163.7733 -630.3317 -2182.6713 921491.4634 -630.3317 -2182.6713
ENERGY: 467 19841.8071 19783.1744 5727.6704 179.7757 -335721.0956 23249.4526 0.0000 0.0000 44523.6670 -222415.5485 161.9649 -266939.2155 -222054.3497 161.9649 -1393.6033 -2232.5927 921491.4634 -1393.6033 -2232.5927
ENERGY: 468 20761.8482 19845.4944 5721.5090 179.2779 -336451.5668 23265.8121 0.0000 0.0000 44291.6590 -222385.9664 161.1209 -266677.6254 -222056.3591 161.1209 -2508.6717 -2314.1342 921491.4634 -2508.6717 -2314.1342
ENERGY: 469 21236.3015 19910.2023 5715.6824 178.8504 -337458.3203 23284.3956 0.0000 0.0000 44720.3207 -222412.5674 162.6802 -267132.8881 -222046.0751 162.6802 -3596.7409 -2405.7975 921491.4634 -3596.7409 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8935 5710.9491 178.5947 -338383.2508 23297.0667 0.0000 0.0000 45346.4579 -222466.1158 164.9580 -267812.5737 -222047.6090 164.9580 -4259.6999 -2477.6834 921491.4634 -4259.6999 -2477.6834
ENERGY: 471 21732.8679 20054.6836 5707.9626 178.5890 -338913.2452 23297.5079 0.0000 0.0000 45471.3371 -222470.2972 165.4122 -267941.6342 -222047.5360 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2362 20161.5552 5707.0091 178.9047 -338870.6767 23279.4485 0.0000 0.0000 45028.5300 -222433.9930 163.8014 -267462.5230 -222059.5059 163.8014 -3659.7364 -2479.9187 921491.4634 -3659.7364 -2479.9187
ENERGY: 473 21866.1363 20289.3426 5707.9843 179.6165 -338307.7190 23240.7356 0.0000 0.0000 44634.5178 -222389.3860 162.3681 -267023.9038 -222043.8540 162.3681 -2556.3619 -2408.1660 921491.4634 -2556.3619 -2408.1660
ENERGY: 474 20842.9704 20372.0985 5710.2160 180.7466 -337438.4551 23189.2341 0.0000 0.0000 44733.2312 -222409.9582 162.7272 -267143.1895 -222041.2620 162.7272 -1295.5527 -2316.2731 921491.4634 -1295.5527 -2316.2731
ENERGY: 475 19674.2080 20371.7672 5712.9876 182.2512 -336604.2311 23142.3810 0.0000 0.0000 45070.2144 -222450.4217 163.9531 -267520.6361 -222039.4531 163.9531 -344.6452 -2232.2129 921491.4634 -344.6452 -2232.2129
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0901 23115.8458 0.0000 0.0000 45106.0638 -222460.5861 164.0835 -267566.6499 -222053.6138 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8786 23114.2931 0.0000 0.0000 44812.3212 -222420.1375 163.0149 -267232.4587 -222044.8411 163.0149 -667.4948 -2171.8230 921491.4634 -667.4948 -2171.8230
ENERGY: 478 20493.4776 19974.7636 5721.0254 187.7262 -336537.4033 23131.2452 0.0000 0.0000 44627.0337 -222402.1315 162.3409 -267029.1652 -222047.4107 162.3409 -1807.1606 -2198.7958 921491.4634 -1807.1606 -2198.7958
ENERGY: 479 21125.3057 19793.3955 5723.3295 189.2099 -337215.5834 23156.6764 0.0000 0.0000 44802.1582 -222425.5083 162.9779 -267227.6665 -222050.5460 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.008, 0.457694/step Wall: 225.008, 0.457694/step, 0.00254274 hours remaining, 3224.089844 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 21624.0326 19623.1964 5725.3111 190.1900 -337854.6781 23181.5110 0.0000 0.0000 45051.6818 -222458.7551 163.8856 -267510.4369 -222064.6210 163.8856 -4077.7329 -2291.4894 921491.4634 -4077.7329 -2291.4894
ENERGY: 481 22092.4854 19510.0434 5727.0952 190.6351 -338199.2476 23196.7951 0.0000 0.0000 45041.3371 -222440.8563 163.8480 -267482.1934 -222052.5266 163.8480 -4466.2396 -2305.6735 921491.4634 -4466.2396 -2305.6735
ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5413 23192.7466 0.0000 0.0000 44865.8522 -222414.0601 163.2096 -267279.9122 -222051.4113 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1413 19511.5747 5729.5660 189.3227 -337426.2180 23165.8732 0.0000 0.0000 44861.8971 -222414.8430 163.1953 -267276.7401 -222048.7672 163.1953 -2964.1724 -2216.4119 921491.4634 -2964.1724 -2216.4119
ENERGY: 484 20460.8925 19631.1941 5730.2465 187.5455 -336590.8880 23126.1343 0.0000 0.0000 45003.6034 -222451.2717 163.7107 -267454.8751 -222059.8742 163.7107 -1565.2426 -2143.1852 921491.4634 -1565.2426 -2143.1852
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5861 23092.8462 0.0000 0.0000 44955.5726 -222449.3246 163.5360 -267404.8972 -222045.9606 163.5360 -422.1571 -2086.8738 921491.4634 -422.1571 -2086.8738
ENERGY: 486 19602.5427 19954.8177 5729.7198 182.4662 -335612.3562 23080.3800 0.0000 0.0000 44645.9117 -222416.5182 162.4096 -267062.4299 -222044.6761 162.4096 87.3179 -2070.0984 921491.4634 87.3179 -2070.0984
ENERGY: 487 19881.0925 20072.0214 5727.4347 179.4360 -335846.4476 23091.0537 0.0000 0.0000 44503.3493 -222392.0599 161.8910 -266895.4093 -222045.2407 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2097 20156.1363 5723.5441 176.4338 -336552.5445 23118.8609 0.0000 0.0000 44827.0556 -222425.3041 163.0685 -267252.3597 -222057.1938 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8870 20236.4611 5718.5749 173.8639 -337540.4647 23156.7304 0.0000 0.0000 45266.1003 -222461.8472 164.6656 -267727.9475 -222045.6085 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9023 5712.8912 171.8438 -338458.1352 23196.4871 0.0000 0.0000 45213.5626 -222459.6993 164.4745 -267673.2619 -222048.2207 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4640 20312.1362 5707.3795 170.5404 -338984.5784 23226.0931 0.0000 0.0000 44733.0085 -222404.9568 162.7264 -267137.9652 -222049.4637 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9547 20289.6811 5702.9945 170.0208 -338937.5809 23232.7200 0.0000 0.0000 44542.1946 -222387.0153 162.0323 -266929.2099 -222060.3862 162.0323 -4606.8525 -2557.4731 921491.4634 -4606.8525 -2557.4731
ENERGY: 493 21558.2187 20260.7373 5700.7779 170.3201 -338358.0626 23214.0532 0.0000 0.0000 45033.8227 -222420.1328 163.8207 -267453.9555 -222046.5902 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3364 20225.0260 5700.9806 171.2193 -337454.3828 23183.0791 0.0000 0.0000 45622.2473 -222483.4941 165.9612 -268105.7414 -222044.0869 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8299 5703.5926 172.5416 -336566.9879 23159.4621 0.0000 0.0000 45484.1228 -222477.1927 165.4587 -267961.3155 -222041.5565 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6471 5708.0350 174.0933 -335998.7147 23154.2633 0.0000 0.0000 44699.5266 -222409.6660 162.6046 -267109.1926 -222049.0670 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6668 20059.9175 5713.4613 175.7242 -335952.5034 23166.3543 0.0000 0.0000 44261.0283 -222363.3511 161.0095 -266624.3794 -222042.7501 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0165 19957.1215 5718.5597 177.2604 -336366.4927 23189.3584 0.0000 0.0000 44728.2529 -222413.9234 162.7091 -267142.1763 -222044.5220 162.7091 -993.4680 -2331.6472 921491.4634 -993.4680 -2331.6472
ENERGY: 499 20158.0678 19847.7309 5722.4090 178.6361 -337058.4819 23219.2403 0.0000 0.0000 45439.2639 -222493.1340 165.2956 -267932.3978 -222047.2063 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.457323 s/step 5.29309 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.089, 0.454055/step Wall: 234.089, 0.454055/step, 0 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6584 5724.4523 179.8271 -337741.4192 23251.1008 0.0000 0.0000 45359.0772 -222495.4096 165.0039 -267854.4868 -222061.0914 165.0039 -3197.5170 -2425.4145 921491.4634 -3197.5170 -2425.4145
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.539 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.539 MB of memory in use
====================================================
WallClock: 241.033493 CPUTime: 241.033493 Memory: 3229.539062 MB
[Partition 0][Node 0] End of program
Application 109831924 resources: utime ~947s, stime ~19s, Rss ~126892, inblocks ~67006, outblocks ~72238
Displaying status file:
verified
WALL=241.033493
CPU=241.033493
MEM=3229.539062
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins8571460932334922165.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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