Skipping 717 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.1354
LDB: Largest compute 200 load 0.429980 is 1.2% of average load 36.846961
LDB: Average compute 0.051625 is 0.1% of average load 36.846961
LDB: Partitioning computes with target load 3.684696
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055095
LDB: ============== END OF LOAD BALANCING =============== 54.1375
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1383
Info: Initial time: 4 CPUs 0.472622 s/step 5.47016 days/ns 3221.49 MB memory
TIMING: 100 CPU: 48.2339, 0.471758/step Wall: 48.2339, 0.471758/step, 0.0524176 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 ============== 63.552
LDB: ============== END OF LOAD BALANCING =============== 63.5521
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5525
TIMING: 120 CPU: 57.6453, 0.470569/step Wall: 57.6453, 0.470569/step, 0.0496711 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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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.0562, 0.470547/step Wall: 67.0562, 0.470547/step, 0.0470547 hours remaining, 3221.890625 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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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 18312.4483 20599.9073 5758.8570 173.6449 -332218.9145 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 19943.2665 5753.0947 171.8900 -332363.0657 20715.7865 0.0000 0.0000 43325.6934 -222410.2509 157.6070 -265735.9444 -222155.5008 157.6070 -38.8543 -2554.7665 921491.4634 -38.8543 -2554.7665
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TIMING: 160 CPU: 76.4536, 0.469869/step Wall: 76.4536, 0.469869/step, 0.0443765 hours remaining, 3222.031250 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 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6002 18685.5958 5704.9782 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9737 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8126 18508.1492 5697.2826 183.0024 -333202.6495 20887.8857 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9853 18346.8656 5696.1509 188.4544 -332368.8223 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4665 20870.4070 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1910 -222488.0251 158.6055 -266088.2161 -222133.5315 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -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 -335480.2502 21017.8094 0.0000 0.0000 43834.2689 -222570.5381 159.4570 -266404.8070 -222135.2420 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 176 19195.1038 18891.7628 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5399 -222127.3369 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3196 18664.1734 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2626 -222252.6195 155.3827 -264966.8821 -222125.5136 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.8378, 0.46921/step Wall: 85.8378, 0.46921/step, 0.0417076 hours remaining, 3222.171875 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: 183 22149.3487 19677.1533 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7606 152.1836 -264118.5841 -222131.2589 152.1836 -1990.8046 -2626.5157 921491.4634 -1990.8046 -2626.5157
ENERGY: 184 18376.8756 19424.9914 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8618 -222144.6141 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
ENERGY: 185 16957.7744 19234.6872 5697.7241 178.4155 -331895.6961 21023.9443 0.0000 0.0000 46149.4989 -222653.6517 167.8792 -268803.1505 -222128.1655 167.8792 -1752.9883 -2679.2077 921491.4634 -1752.9883 -2679.2077
ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0937 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 22073.2968 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
ENERGY: 188 22101.1830 19886.6774 5676.0120 186.3502 -334382.7611 21093.9044 0.0000 0.0000 43113.1616 -222325.4725 156.8338 -265438.6341 -222135.3907 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
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ENERGY: 196 19755.8662 19594.9318 5717.4229 183.5644 -332319.6950 21082.8579 0.0000 0.0000 43603.6156 -222381.4361 158.6180 -265985.0517 -222096.3127 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3671 19122.7579 5714.1451 184.7200 -332668.2730 21129.4588 0.0000 0.0000 42574.3655 -222242.4587 154.8738 -264816.8242 -222086.7180 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0061 18800.3004 5711.3574 186.3640 -333385.4997 21161.1534 0.0000 0.0000 43911.2864 -222391.0320 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.134
LDB: Largest compute 200 load 0.424315 is 1.2% of average load 36.667633
LDB: Average compute 0.051370 is 0.1% of average load 36.667633
LDB: TIME 101.136 LOAD: AVG 36.6676 MAX 37.5813 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.52 MB
LDB: TIME 101.138 LOAD: AVG 36.6676 MAX 37.4595 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.52 MB
LDB: ============== END OF LOAD BALANCING =============== 101.14
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.143
Info: Initial time: 4 CPUs 0.469876 s/step 5.43837 days/ns 3223.51 MB memory
TIMING: 200 CPU: 95.231, 0.469662/step Wall: 95.231, 0.469662/step, 0.0391385 hours remaining, 3223.511719 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 18595.6349 5711.8747 190.0258 -334670.2807 21209.9248 0.0000 0.0000 45319.1600 -222569.9768 164.8586 -267889.1368 -222114.5241 164.8586 -5241.8526 -2703.6812 921491.4634 -5241.8526 -2703.6812
ENERGY: 201 23380.1031 18674.3332 5716.2802 191.4189 -334751.7127 21239.1341 0.0000 0.0000 43222.4694 -222327.9738 157.2315 -265550.4432 -222100.1074 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8449 5722.5980 192.1474 -334305.3002 21243.2752 0.0000 0.0000 42432.5587 -222241.0643 154.3580 -264673.6230 -222096.8287 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9369 21215.8254 0.0000 0.0000 44059.6987 -222431.1630 160.2771 -266490.8617 -222093.6423 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4720 -222628.9810 165.9875 -268258.4531 -222116.7003 165.9875 452.9934 -2462.2930 921491.4634 452.9934 -2462.2930
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7149 -222526.2118 162.5725 -267216.9267 -222099.8061 162.5725 731.8536 -2447.6354 921491.4634 731.8536 -2447.6354
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3435 21241.8392 0.0000 0.0000 42439.0584 -222274.9357 154.3816 -264713.9941 -222100.3398 154.3816 -230.6568 -2488.2937 921491.4634 -230.6568 -2488.2937
ENERGY: 207 21693.8033 20338.2891 5726.5434 185.3060 -333603.9793 21289.9002 0.0000 0.0000 42143.6913 -222226.4460 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2704 20371.8904 5718.1572 182.8654 -334789.2378 21322.2411 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8134 -222122.6313 161.6191 -3669.0643 -2719.7951 921491.4634 -3669.0643 -2719.7951
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2414 21349.5045 0.0000 0.0000 46273.6800 -222642.3815 168.3309 -268916.0615 -222106.7900 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
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 20194.2569 5705.3139 178.4614 -336615.7769 21385.1097 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4614 -222108.2015 164.6123 -6091.3663 -2896.2626 921491.4634 -6091.3663 -2896.2626
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8928 21415.1478 0.0000 0.0000 43031.7284 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2710 19730.8222 5710.0296 176.0352 -336013.6227 21412.5984 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5247 5720.1722 175.9508 -334874.6443 21380.5553 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2253 -222097.3834 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4704 -222681.1884 170.8220 -269639.6588 -222093.7406 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3322 21379.5597 0.0000 0.0000 45302.6747 -222527.8916 164.7987 -267830.5663 -222091.0446 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4837 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6758 21497.2707 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1148 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.641, 0.470513/step Wall: 104.641, 0.470513/step, 0.0365954 hours remaining, 3223.511719 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: 114.043, 0.470089/step Wall: 114.043, 0.470089/step, 0.0339509 hours remaining, 3223.511719 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 22110.7716 20111.8208 5758.5348 169.0441 -335904.8196 21831.0568 0.0000 0.0000 43526.8721 -222396.7194 158.3388 -265923.5915 -222063.5734 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7068 21770.4749 0.0000 0.0000 45537.0691 -222575.9244 165.6513 -268112.9935 -222061.6672 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4545 169.6534 -334482.6012 21720.5677 0.0000 0.0000 45629.1663 -222554.1195 165.9864 -268183.2858 -222078.7771 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7600 5725.7785 171.4559 -334087.5949 21701.2471 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7929 -2523.3911 921491.4634 -1173.7929 -2523.3911
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1844 21719.8455 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1355 21746.4312 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3065 921491.4634 -1359.1246 -2608.3065
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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 21994.9042 20013.1598 5733.2541 193.8023 -336093.2677 21826.9297 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1807 21784.0538 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3604 -222082.7206 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
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ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4211 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5972 21757.6849 0.0000 0.0000 43181.1611 -222297.2436 157.0812 -265478.4048 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2421 0.0000 0.0000 44488.5469 -222428.4889 161.8371 -266917.0357 -222060.1682 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1545 21817.5079 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.435, 0.469577/step Wall: 123.435, 0.469577/step, 0.0313051 hours remaining, 3223.863281 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 -336291.7863 21947.6075 0.0000 0.0000 44601.6347 -222438.8160 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7559 -2810.4636 921491.4634 -3214.7559 -2810.4636
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9716 21924.4742 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8114 -2773.3902 921491.4634 -2647.8114 -2773.3902
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9514 21907.7774 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8415 20681.9927 5713.6241 187.4392 -334395.6635 21906.0165 0.0000 0.0000 43607.6373 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7899 20788.8702 5712.1327 187.6137 -334399.4580 21914.4807 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4858 21930.8376 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7452 21959.1259 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -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 22620.1933 19450.9166 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
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ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5298 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1282 21971.0411 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1300 -2417.6039 921491.4634 -1580.1300 -2417.6039
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2389 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1004 22041.3361 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5802 22096.4201 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3212 -2682.8388 921491.4634 -4044.3212 -2682.8388
TIMING: 280 CPU: 132.81, 0.468781/step Wall: 132.81, 0.468781/step, 0.0286477 hours remaining, 3223.863281 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 20943.7899 19615.5380 5669.9796 186.8360 -336942.5036 22176.7656 0.0000 0.0000 45823.3368 -222526.2577 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1061 19966.6616 5678.8138 187.1634 -336251.9203 22171.0650 0.0000 0.0000 45328.8518 -222487.2587 164.8939 -267816.1105 -222060.8459 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 286 19396.6309 20966.5621 5721.5032 185.8229 -334658.1148 22176.6864 0.0000 0.0000 43785.6881 -222425.2211 159.2803 -266210.9092 -222054.0581 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7821 5731.9346 184.4714 -334918.1479 22200.2911 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2849 5736.9558 182.7335 -335468.3149 22237.9038 0.0000 0.0000 44116.9905 -222455.2376 160.4855 -266572.2281 -222066.9054 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.11
LDB: Largest compute 200 load 0.523585 is 1.1% of average load 45.788903
LDB: Average compute 0.064157 is 0.1% of average load 45.788903
LDB: TIME 148.112 LOAD: AVG 45.7889 MAX 46.9674 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 148.113 LOAD: AVG 45.7889 MAX 46.9674 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 148.117 LOAD: AVG 45.7889 MAX 46.3111 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 148.118
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.119
Info: Initial time: 4 CPUs 0.469419 s/step 5.43309 days/ns 3224.28 MB memory
TIMING: 300 CPU: 142.182, 0.468579/step Wall: 142.182, 0.468579/step, 0.0260322 hours remaining, 3224.281250 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: 151.413, 0.461562/step Wall: 151.413, 0.461562/step, 0.0230781 hours remaining, 3224.281250 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: 160.637, 0.461214/step Wall: 160.637, 0.461214/step, 0.0204984 hours remaining, 3224.281250 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: 169.852, 0.460749/step Wall: 169.852, 0.460749/step, 0.017918 hours remaining, 3224.281250 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: 364 19323.8975 19612.6010 5699.8913 181.0103 -336175.1991 22790.5192 0.0000 0.0000 46034.3488 -222532.9310 167.4603 -268567.2798 -222068.5915 167.4603 -1420.0422 -2476.3756 921491.4634 -1420.0422 -2476.3756
ENERGY: 365 18830.5839 19548.3416 5710.7559 180.6856 -335316.0962 22775.7829 0.0000 0.0000 45760.0888 -222509.8574 166.4626 -268269.9462 -222057.4400 166.4626 -1100.2604 -2433.4822 921491.4634 -1100.2604 -2433.4822
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ENERGY: 367 20741.0597 19662.8831 5732.9484 180.1165 -335098.3152 22794.3494 0.0000 0.0000 43662.6184 -222324.3398 158.8326 -265986.9582 -222058.3711 158.8326 -2104.1274 -2437.9267 921491.4634 -2104.1274 -2437.9267
ENERGY: 368 20561.5939 19748.2118 5739.6691 179.8275 -335728.0869 22808.6652 0.0000 0.0000 44272.8405 -222417.2789 161.0524 -266690.1195 -222068.2908 161.0524 -2928.4887 -2487.3069 921491.4634 -2928.4887 -2487.3069
ENERGY: 369 20346.9681 19812.6205 5741.6370 179.5048 -336580.3305 22825.3359 0.0000 0.0000 45155.6307 -222518.6336 164.2638 -267674.2643 -222061.0997 164.2638 -3666.9892 -2542.4573 921491.4634 -3666.9892 -2542.4573
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: 376 19884.0273 19962.1765 5703.2011 181.1433 -335321.8632 22772.8701 0.0000 0.0000 44434.3275 -222384.1174 161.6399 -266818.4450 -222050.5528 161.6399 -874.6221 -2439.6903 921491.4634 -874.6221 -2439.6903
ENERGY: 377 20646.4610 20251.1594 5706.5522 182.3249 -335763.5802 22794.3773 0.0000 0.0000 43848.2753 -222334.4302 159.5080 -266182.7055 -222041.4012 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8101 20495.6595 5711.4639 183.2952 -336584.2279 22821.5836 0.0000 0.0000 44474.7535 -222423.6620 161.7869 -266898.4155 -222044.3966 161.7869 -2972.9874 -2523.3498 921491.4634 -2972.9874 -2523.3498
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TIMING: 380 CPU: 179.059, 0.460359/step Wall: 179.059, 0.460359/step, 0.0153453 hours remaining, 3224.281250 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: 383 21263.6992 19910.9243 5714.6670 180.7420 -337128.0221 22911.2843 0.0000 0.0000 44707.9443 -222438.7610 162.6352 -267146.7053 -222048.1878 162.6352 -2023.0802 -2294.0132 921491.4634 -2023.0802 -2294.0132
ENERGY: 384 19625.4113 19596.0350 5710.5349 179.0647 -336052.0479 22884.2532 0.0000 0.0000 45539.1832 -222517.5656 165.6590 -268056.7488 -222062.0924 165.6590 -569.2378 -2166.9358 921491.4634 -569.2378 -2166.9358
ENERGY: 385 19327.8181 19356.8909 5707.7752 177.4354 -335210.6394 22871.6141 0.0000 0.0000 45299.7169 -222469.3887 164.7879 -267769.1057 -222051.0991 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2274 19220.9462 5707.6638 175.9384 -334865.1811 22880.7955 0.0000 0.0000 44519.8584 -222378.7514 161.9510 -266898.6098 -222051.0435 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2861 19202.4843 5710.9355 174.6759 -335109.8720 22905.2741 0.0000 0.0000 44377.1814 -222372.0347 161.4320 -266749.2161 -222053.0048 161.4320 -738.9586 -2019.1689 921491.4634 -738.9586 -2019.1689
ENERGY: 388 20282.3988 19280.0167 5717.2935 173.7038 -335824.1514 22938.2897 0.0000 0.0000 44972.7760 -222459.6729 163.5986 -267432.4489 -222067.4815 163.5986 -2063.8555 -2076.2821 921491.4634 -2063.8555 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8117 20133.3593 5716.9814 176.0456 -336812.3378 23014.0579 0.0000 0.0000 45592.7323 -222486.3495 165.8538 -268079.0818 -222045.7221 165.8538 -1710.2239 -2443.6967 921491.4634 -1710.2239 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.207
LDB: Largest compute 230 load 0.520178 is 1.1% of average load 45.692402
LDB: Average compute 0.063982 is 0.1% of average load 45.692402
LDB: TIME 194.208 LOAD: AVG 45.6924 MAX 46.0879 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 194.209 LOAD: AVG 45.6924 MAX 46.0879 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 194.209 LOAD: AVG 45.6924 MAX 46.0879 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 194.21
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.21
Info: Benchmark time: 4 CPUs 0.460815 s/step 5.33351 days/ns 3224.28 MB memory
TIMING: 400 CPU: 188.267, 0.460387/step Wall: 188.267, 0.460387/step, 0.0127885 hours remaining, 3224.281250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9106 5715.8942 173.8391 -338107.6280 23109.6373 0.0000 0.0000 44436.8101 -222391.4887 161.6489 -266828.2988 -222049.2223 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9776 23077.8397 0.0000 0.0000 45225.5965 -222483.0981 164.5183 -267708.6946 -222046.6851 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5952 19735.4026 5713.8114 175.5084 -336169.1133 23038.2895 0.0000 0.0000 45313.8395 -222504.6666 164.8393 -267818.5061 -222060.2368 164.8393 -1967.0745 -2494.0438 921491.4634 -1967.0745 -2494.0438
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ENERGY: 406 20210.3504 19614.0442 5704.4965 180.4779 -334953.8231 22994.4758 0.0000 0.0000 43902.7665 -222347.2117 159.7062 -266249.9782 -222046.2401 159.7062 66.0354 -2300.4795 921491.4634 66.0354 -2300.4795
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ENERGY: 408 19735.8472 19387.6644 5692.2152 187.5226 -335902.8217 23017.8170 0.0000 0.0000 45394.4122 -222487.3431 165.1324 -267881.7553 -222063.5310 165.1324 -920.8283 -2294.1557 921491.4634 -920.8283 -2294.1557
ENERGY: 409 20350.1189 19376.4608 5688.4775 191.1592 -336896.6847 23057.9919 0.0000 0.0000 45733.6059 -222498.8702 166.3663 -268232.4762 -222051.6703 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5212 19470.1804 5687.6650 194.4179 -337813.1846 23106.2027 0.0000 0.0000 45077.0716 -222427.1259 163.9780 -267504.1975 -222054.6426 163.9780 -3838.6213 -2402.0240 921491.4634 -3838.6213 -2402.0240
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ENERGY: 413 21130.1417 20138.5251 5699.9334 199.7191 -337872.5323 23125.1115 0.0000 0.0000 45113.2145 -222465.8869 164.1095 -267579.1014 -222055.3453 164.1095 -3850.6268 -2398.9549 921491.4634 -3850.6268 -2398.9549
ENERGY: 414 19987.3857 20381.5509 5705.1135 199.5118 -337122.7802 23094.4558 0.0000 0.0000 45271.6529 -222483.1097 164.6858 -267754.7626 -222052.1623 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2667 20572.1262 5708.7453 198.1487 -336456.1978 23071.1992 0.0000 0.0000 44733.2275 -222427.4844 162.7272 -267160.7119 -222049.0346 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3170 20661.9898 5710.0858 195.6954 -336157.5866 23063.1716 0.0000 0.0000 44200.2851 -222384.0419 160.7885 -266584.3271 -222052.9642 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1080 23072.1100 0.0000 0.0000 44338.4621 -222398.3208 161.2911 -266736.7829 -222044.6991 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6649 20457.0909 5705.5848 188.6537 -336970.7872 23098.6728 0.0000 0.0000 44915.1425 -222450.9776 163.3889 -267366.1201 -222046.7091 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7632 20185.5523 5700.4811 184.6055 -337717.8760 23139.8025 0.0000 0.0000 45250.3104 -222466.3611 164.6082 -267716.6715 -222049.5948 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.451, 0.459187/step Wall: 197.451, 0.459187/step, 0.0102042 hours remaining, 3224.281250 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: 428 20140.4229 19760.4174 5710.4629 168.5259 -336199.9861 23087.7680 0.0000 0.0000 44884.2597 -222448.1295 163.2766 -267332.3892 -222058.0548 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3704 20188.6728 5710.3547 168.1086 -338651.2109 23176.0848 0.0000 0.0000 45177.9910 -222461.6286 164.3451 -267639.6196 -222065.9059 164.3451 -3350.2741 -2296.1498 921491.4634 -3350.2741 -2296.1498
ENERGY: 433 21200.9072 20275.9667 5710.3763 168.4633 -338164.0643 23162.2912 0.0000 0.0000 45192.9283 -222453.1312 164.3995 -267646.0596 -222052.5983 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2709 23140.7737 0.0000 0.0000 44883.0997 -222420.9753 163.2724 -267304.0750 -222051.1464 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6558 23123.4099 0.0000 0.0000 44675.9839 -222398.7946 162.5190 -267074.7784 -222049.5890 162.5190 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
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ENERGY: 437 19434.5517 20329.5092 5720.9894 175.9827 -336411.9787 23136.3870 0.0000 0.0000 45159.2687 -222455.2900 164.2770 -267614.5588 -222050.7502 164.2770 -1319.1170 -2134.4848 921491.4634 -1319.1170 -2134.4848
ENERGY: 438 19935.1534 20278.6094 5724.6884 179.3848 -336899.4579 23173.5521 0.0000 0.0000 45148.1325 -222459.9373 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0942 -2145.0881 921491.4634 -1493.0942 -2145.0881
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TIMING: 440 CPU: 206.626, 0.458727/step Wall: 206.626, 0.458727/step, 0.00764546 hours remaining, 3224.281250 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 22071.5684 20036.2369 5729.7527 186.7201 -338123.1807 23276.2488 0.0000 0.0000 44417.5462 -222405.1075 161.5788 -266822.6537 -222059.4769 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
ENERGY: 441 22355.5486 19860.0408 5730.3488 190.1145 -338361.1716 23313.2048 0.0000 0.0000 44502.6966 -222409.2174 161.8886 -266911.9141 -222050.0855 161.8886 -2716.1026 -2221.5312 921491.4634 -2716.1026 -2221.5312
ENERGY: 442 21853.6118 19664.5349 5729.4855 192.9411 -338090.1534 23327.1571 0.0000 0.0000 44880.6321 -222441.7909 163.2634 -267322.4230 -222049.7751 163.2634 -2710.5574 -2229.0694 921491.4634 -2710.5574 -2229.0694
ENERGY: 443 21064.3316 19487.0723 5727.6165 194.9329 -337369.3151 23320.0161 0.0000 0.0000 45118.1107 -222457.2349 164.1273 -267575.3457 -222048.5991 164.1273 -2448.1646 -2220.3529 921491.4634 -2448.1646 -2220.3529
ENERGY: 444 20449.3363 19357.2691 5725.4095 195.8735 -336464.1929 23301.5280 0.0000 0.0000 44987.7177 -222447.0588 163.6530 -267434.7765 -222057.9797 163.6530 -2090.2097 -2206.4398 921491.4634 -2090.2097 -2206.4398
ENERGY: 445 20125.5608 19307.2519 5723.6513 195.6942 -335759.3921 23283.8143 0.0000 0.0000 44708.7155 -222414.7042 162.6380 -267123.4196 -222046.5428 162.6380 -1846.9624 -2201.6924 921491.4634 -1846.9624 -2201.6924
ENERGY: 446 19947.6805 19324.9007 5722.5430 194.3235 -335494.5716 23276.0455 0.0000 0.0000 44620.2945 -222408.7839 162.3164 -267029.0784 -222046.1620 162.3164 -1800.7516 -2216.7292 921491.4634 -1800.7516 -2216.7292
ENERGY: 447 19914.2849 19416.0211 5722.2107 191.8641 -335769.4408 23282.7463 0.0000 0.0000 44816.5087 -222425.8050 163.0301 -267242.3137 -222046.8343 163.0301 -1993.3111 -2253.0601 921491.4634 -1993.3111 -2253.0601
ENERGY: 448 20187.5922 19583.6800 5722.5765 188.5554 -336503.1805 23303.8909 0.0000 0.0000 45065.6674 -222451.2181 163.9365 -267516.8855 -222059.3476 163.9365 -2372.1876 -2303.7895 921491.4634 -2372.1876 -2303.7895
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1300 5724.4777 181.0898 -338419.3252 23364.6248 0.0000 0.0000 44854.3095 -222432.2082 163.1677 -267286.5176 -222048.7856 163.1677 -3116.6754 -2394.3893 921491.4634 -3116.6754 -2394.3893
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6517 -338952.0910 23381.8012 0.0000 0.0000 44542.6984 -222411.9095 162.0341 -266954.6079 -222048.8241 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2015 20536.0135 5723.8954 174.8859 -338927.1543 23378.0948 0.0000 0.0000 44452.9193 -222415.1439 161.7075 -266868.0632 -222059.6370 161.7075 -2659.9604 -2384.7567 921491.4634 -2659.9604 -2384.7567
ENERGY: 453 21399.8726 20641.1312 5722.2879 173.1350 -338392.7938 23354.5912 0.0000 0.0000 44683.7029 -222418.0730 162.5470 -267101.7760 -222043.5371 162.5470 -2048.3337 -2342.4667 921491.4634 -2048.3337 -2342.4667
ENERGY: 454 20248.3380 20654.1375 5720.2218 172.3637 -337567.1418 23320.6906 0.0000 0.0000 45008.1461 -222443.2442 163.7273 -267451.3903 -222041.8391 163.7273 -1453.4577 -2293.1449 921491.4634 -1453.4577 -2293.1449
ENERGY: 455 19486.7905 20584.7121 5718.4845 172.5169 -336790.6456 23290.4028 0.0000 0.0000 45086.5785 -222451.1603 164.0126 -267537.7388 -222040.8570 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1076 23274.9636 0.0000 0.0000 44811.4723 -222438.4392 163.0118 -267249.9115 -222055.3483 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8166 23277.8279 0.0000 0.0000 44521.8704 -222403.1999 161.9583 -266925.0703 -222049.4130 161.9583 -1906.4164 -2263.5011 921491.4634 -1906.4164 -2263.5011
ENERGY: 458 20585.8435 20019.2721 5720.7061 176.6081 -336835.0961 23294.7177 0.0000 0.0000 44632.7889 -222405.1596 162.3618 -267037.9485 -222051.2819 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 215.791, 0.45825/step Wall: 215.791, 0.45825/step, 0.00509167 hours remaining, 3224.281250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2257 19487.8111 5736.4822 180.9531 -337988.7175 23351.1088 0.0000 0.0000 44559.9294 -222408.2072 162.0968 -266968.1366 -222056.7211 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1034 23326.9479 0.0000 0.0000 44313.4575 -222388.5650 161.2002 -266702.0224 -222054.6239 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2460 19559.9276 5739.2518 181.0096 -336389.3850 23291.1943 0.0000 0.0000 44654.0271 -222428.7286 162.4391 -267082.7558 -222058.5731 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7827 19631.8858 5737.2899 180.7155 -335701.1544 23259.7392 0.0000 0.0000 45094.5692 -222474.1721 164.0416 -267568.7414 -222052.9390 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4511 19708.3585 5733.2107 180.2808 -335443.7736 23245.0604 0.0000 0.0000 45020.7913 -222467.6208 163.7733 -267488.4121 -222052.9787 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8071 19783.1746 5727.6704 179.7757 -335721.0962 23249.4530 0.0000 0.0000 44523.6671 -222415.5484 161.9649 -266939.2155 -222054.3497 161.9649 -1393.6031 -2232.5926 921491.4634 -1393.6031 -2232.5926
ENERGY: 468 20761.8483 19845.4946 5721.5090 179.2779 -336451.5674 23265.8125 0.0000 0.0000 44291.6591 -222385.9662 161.1209 -266677.6252 -222056.3589 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3018 19910.2025 5715.6824 178.8504 -337458.3210 23284.3961 0.0000 0.0000 44720.3207 -222412.5671 162.6802 -267132.8878 -222046.0749 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8937 5710.9491 178.5947 -338383.2514 23297.0672 0.0000 0.0000 45346.4577 -222466.1155 164.9580 -267812.5733 -222047.6087 164.9580 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8681 20054.6837 5707.9626 178.5890 -338913.2456 23297.5084 0.0000 0.0000 45471.3368 -222470.2969 165.4122 -267941.6337 -222047.5358 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2362 20161.5553 5707.0091 178.9047 -338870.6768 23279.4490 0.0000 0.0000 45028.5297 -222433.9928 163.8014 -267462.5225 -222059.5057 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1361 20289.3426 5707.9843 179.6165 -338307.7188 23240.7363 0.0000 0.0000 44634.5173 -222389.3858 162.3681 -267023.9031 -222043.8538 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9702 20372.0984 5710.2161 180.7466 -337438.4546 23189.2347 0.0000 0.0000 44733.2305 -222409.9580 162.7272 -267143.1886 -222041.2618 162.7272 -1295.5524 -2316.2728 921491.4634 -1295.5524 -2316.2728
ENERGY: 475 19674.2079 20371.7671 5712.9876 182.2512 -336604.2305 23142.3817 0.0000 0.0000 45070.2135 -222450.4215 163.9530 -267520.6351 -222039.4529 163.9530 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7862 20282.0270 5715.7683 184.0125 -336100.0896 23115.8466 0.0000 0.0000 45106.0629 -222460.5862 164.0835 -267566.6490 -222053.6138 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7250 20145.9808 5718.4976 185.9230 -336101.8783 23114.2939 0.0000 0.0000 44812.3204 -222420.1375 163.0149 -267232.4579 -222044.8411 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7633 5721.0254 187.7262 -336537.4031 23131.2460 0.0000 0.0000 44627.0329 -222402.1315 162.3409 -267029.1644 -222047.4107 162.3409 -1807.1605 -2198.7957 921491.4634 -1807.1605 -2198.7957
ENERGY: 479 21125.3059 19793.3952 5723.3295 189.2099 -337215.5834 23156.6771 0.0000 0.0000 44802.1574 -222425.5083 162.9779 -267227.6657 -222050.5460 162.9779 -3089.8517 -2246.7919 921491.4634 -3089.8517 -2246.7919
TIMING: 480 CPU: 224.945, 0.457718/step Wall: 224.945, 0.457718/step, 0.00254288 hours remaining, 3224.281250 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 19623.1962 5725.3111 190.1900 -337854.6781 23181.5118 0.0000 0.0000 45051.6811 -222458.7550 163.8856 -267510.4361 -222064.6210 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4856 19510.0432 5727.0953 190.6351 -338199.2477 23196.7958 0.0000 0.0000 45041.3365 -222440.8563 163.8480 -267482.1927 -222052.5265 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3468 19466.6794 5728.4964 190.3597 -338044.5416 23192.7474 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9118 -222051.4112 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1413 19511.5746 5729.5661 189.3226 -337426.2184 23165.8740 0.0000 0.0000 44861.8969 -222414.8430 163.1953 -267276.7398 -222048.7672 163.1953 -2964.1724 -2216.4118 921491.4634 -2964.1724 -2216.4118
ENERGY: 484 20460.8925 19631.1941 5730.2465 187.5454 -336590.8878 23126.1351 0.0000 0.0000 45003.6031 -222451.2710 163.7107 -267454.8741 -222059.8734 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7721 19800.2994 5730.5256 185.2458 -335902.5862 23092.8471 0.0000 0.0000 44955.5724 -222449.3238 163.5360 -267404.8962 -222045.9598 163.5360 -422.1567 -2086.8734 921491.4634 -422.1567 -2086.8734
ENERGY: 486 19602.5428 19954.8179 5729.7198 182.4662 -335612.3565 23080.3808 0.0000 0.0000 44645.9115 -222416.5174 162.4096 -267062.4289 -222044.6753 162.4096 87.3183 -2070.0980 921491.4634 87.3183 -2070.0980
ENERGY: 487 19881.0927 20072.0217 5727.4348 179.4360 -335846.4480 23091.0545 0.0000 0.0000 44503.3492 -222392.0592 161.8910 -266895.4084 -222045.2399 161.8910 -192.2344 -2106.8839 921491.4634 -192.2344 -2106.8839
ENERGY: 488 20125.2099 20156.1365 5723.5441 176.4338 -336552.5453 23118.8618 0.0000 0.0000 44827.0556 -222425.3036 163.0685 -267252.3591 -222057.1933 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8873 20236.4613 5718.5749 173.8639 -337540.4656 23156.7312 0.0000 0.0000 45266.1002 -222461.8468 164.6656 -267727.9470 -222045.6080 164.6656 -2511.2404 -2316.7066 921491.4634 -2511.2404 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9025 5712.8913 171.8438 -338458.1360 23196.4880 0.0000 0.0000 45213.5626 -222459.6988 164.4745 -267673.2613 -222048.2202 164.4745 -3823.4038 -2437.4154 921491.4634 -3823.4038 -2437.4154
ENERGY: 491 22430.4642 20312.1362 5707.3795 170.5404 -338984.5791 23226.0940 0.0000 0.0000 44733.0085 -222404.9563 162.7264 -267137.9648 -222049.4633 162.7264 -4629.6933 -2524.6214 921491.4634 -4629.6933 -2524.6214
ENERGY: 492 22612.9548 20289.6810 5702.9945 170.0208 -338937.5814 23232.7209 0.0000 0.0000 44542.1947 -222387.0148 162.0323 -266929.2095 -222060.3858 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2187 20260.7372 5700.7779 170.3201 -338358.0630 23214.0541 0.0000 0.0000 45033.8227 -222420.1323 163.8207 -267453.9550 -222046.5898 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3365 20225.0258 5700.9806 171.2193 -337454.3830 23183.0800 0.0000 0.0000 45622.2471 -222483.4937 165.9612 -268105.7408 -222044.0865 165.9612 -2500.8990 -2482.1066 921491.4634 -2500.8990 -2482.1066
ENERGY: 495 19383.2463 20186.8297 5703.5926 172.5416 -336566.9880 23159.4631 0.0000 0.0000 45484.1225 -222477.1922 165.4587 -267961.3147 -222041.5561 165.4587 -1249.6835 -2407.3053 921491.4634 -1249.6835 -2407.3053
ENERGY: 496 19722.4834 20130.6469 5708.0350 174.0933 -335998.7148 23154.2642 0.0000 0.0000 44699.5263 -222409.6656 162.6046 -267109.1919 -222049.0666 162.6046 -478.8995 -2343.4748 921491.4634 -478.8995 -2343.4748
ENERGY: 497 20212.6668 20059.9174 5713.4613 175.7242 -335952.5035 23166.3552 0.0000 0.0000 44261.0281 -222363.3506 161.0095 -266624.3787 -222042.7496 161.0095 -421.0229 -2316.7925 921491.4634 -421.0229 -2316.7925
ENERGY: 498 20182.0164 19957.1215 5718.5597 177.2604 -336366.4927 23189.3592 0.0000 0.0000 44728.2526 -222413.9229 162.7091 -267142.1756 -222044.5216 162.7091 -993.4676 -2331.6470 921491.4634 -993.4676 -2331.6470
ENERGY: 499 20158.0679 19847.7309 5722.4089 178.6361 -337058.4819 23219.2411 0.0000 0.0000 45439.2635 -222493.1335 165.2956 -267932.3970 -222047.2058 165.2956 -2020.8684 -2376.3387 921491.4634 -2020.8684 -2376.3387
Info: Benchmark time: 4 CPUs 0.457573 s/step 5.29598 days/ns 3224.28 MB memory
TIMING: 500 CPU: 234.025, 0.454002/step Wall: 234.025, 0.454002/step, 0 hours remaining, 3224.281250 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 20974.8938 19756.6586 5724.4523 179.8271 -337741.4189 23251.1015 0.0000 0.0000 45359.0768 -222495.4088 165.0039 -267854.4856 -222061.0906 165.0039 -3197.5164 -2425.4138 921491.4634 -3197.5164 -2425.4138
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: 240.856079 CPUTime: 240.856079 Memory: 3229.539062 MB
[Partition 0][Node 0] End of program
Application 109667205 resources: utime ~948s, stime ~18s, Rss ~126644, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=240.856079
CPU=240.856079
MEM=3229.539062
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins15118992387673138766.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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