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 ============== 54.4745
LDB: Largest compute 200 load 0.430619 is 1.2% of average load 36.866667
LDB: Average compute 0.051645 is 0.1% of average load 36.866667
LDB: Partitioning computes with target load 3.686667
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055439
LDB: ============== END OF LOAD BALANCING =============== 54.4767
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.4776
Info: Initial time: 4 CPUs 0.476109 s/step 5.51052 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.584, 0.475139/step Wall: 48.584, 0.475139/step, 0.0527932 hours remaining, 3221.574219 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 ============== 63.9621
LDB: ============== END OF LOAD BALANCING =============== 63.9621
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9626
TIMING: 120 CPU: 58.0685, 0.474227/step Wall: 58.0685, 0.474227/step, 0.0500573 hours remaining, 3221.804688 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: 67.5435, 0.47375/step Wall: 67.5435, 0.47375/step, 0.047375 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: 158 21695.0845 19425.3238 5743.5667 171.3409 -332829.8102 20761.5806 0.0000 0.0000 42713.6821 -222319.2317 155.3806 -265032.9137 -222157.3221 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 77.0089, 0.473271/step Wall: 77.0089, 0.473271/step, 0.0446978 hours remaining, 3222.261719 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 18859.3046 5717.0749 174.4916 -333735.9153 20833.5472 0.0000 0.0000 44515.8595 -222542.3533 161.9365 -267058.2128 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5960 5704.9782 178.2042 -333710.7595 20865.7133 0.0000 0.0000 44220.7112 -222493.9566 160.8628 -266714.6678 -222160.9738 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8124 18508.1493 5697.2826 183.0024 -333202.6495 20887.8857 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9850 18346.8657 5696.1509 188.4544 -332368.8222 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7801 156.4429 -4776.8218 -2868.7270 921491.4634 -4776.8218 -2868.7270
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ENERGY: 167 21026.8306 19216.2868 5755.9248 205.8794 -332212.1861 20917.6389 0.0000 0.0000 42775.8061 -222313.8196 155.6066 -265089.6257 -222150.5299 155.6066 -1671.2500 -2889.5868 921491.4634 -1671.2500 -2889.5868
ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4926 20963.4339 0.0000 0.0000 42492.3349 -222325.8217 154.5754 -264818.1566 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4664 20870.4070 5789.9166 204.9287 -334596.5069 20994.5723 0.0000 0.0000 43600.1908 -222488.0251 158.6055 -266088.2160 -222133.5316 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 20485.0013 21574.3801 5797.0542 201.1981 -335480.2500 21017.8094 0.0000 0.0000 43834.2686 -222570.5382 159.4570 -266404.8068 -222135.2421 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2128 20943.2096 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3221 -2727.5043 921491.4634 -2658.3221 -2727.5043
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2412 20981.6519 0.0000 0.0000 42714.2624 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1369 -222126.1322 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.466, 0.472856/step Wall: 86.466, 0.472856/step, 0.0420317 hours remaining, 3222.261719 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 22149.3486 19677.1533 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7607 152.1836 -264118.5842 -222131.2590 152.1836 -1990.8045 -2626.5157 921491.4634 -1990.8045 -2626.5157
ENERGY: 184 18376.8756 19424.9914 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6144 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
ENERGY: 185 16957.7745 19234.6872 5697.7241 178.4155 -331895.6963 21023.9443 0.0000 0.0000 46149.4986 -222653.6520 167.8792 -268803.1506 -222128.1658 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2890 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1128 21076.9264 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0858 -222130.9082 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
ENERGY: 188 22101.1829 19886.6773 5676.0120 186.3502 -334382.7609 21093.9044 0.0000 0.0000 43113.1614 -222325.4726 156.8338 -265438.6341 -222135.3908 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 19594.9320 5717.4229 183.5644 -332319.6952 21082.8579 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0517 -222096.3128 158.6180 -1480.5942 -2574.8092 921491.4634 -1480.5942 -2574.8092
ENERGY: 197 21700.3669 19122.7581 5714.1451 184.7200 -332668.2732 21129.4587 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7438 -2596.5495 921491.4634 -3040.7438 -2596.5495
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
ENERGY: 199 20113.4047 18634.4040 5710.3429 188.2374 -334151.8586 21182.1777 0.0000 0.0000 45722.9588 -222600.3331 166.3276 -268323.2919 -222093.2752 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.815
LDB: Largest compute 200 load 0.425935 is 1.2% of average load 36.679001
LDB: Average compute 0.051382 is 0.1% of average load 36.679001
LDB: TIME 101.817 LOAD: AVG 36.679 MAX 37.8527 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.819 LOAD: AVG 36.679 MAX 37.6428 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.821
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.825
Info: Initial time: 4 CPUs 0.473323 s/step 5.47828 days/ns 3223.84 MB memory
TIMING: 200 CPU: 95.9262, 0.473009/step Wall: 95.9262, 0.473009/step, 0.0394174 hours remaining, 3223.839844 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 21073.6835 18595.6349 5711.8747 190.0258 -334670.2808 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8524 -2703.6813 921491.4634 -5241.8524 -2703.6813
ENERGY: 201 23380.1028 18674.3332 5716.2802 191.4189 -334751.7128 21239.1340 0.0000 0.0000 43222.4696 -222327.9741 157.2315 -265550.4437 -222100.1077 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8115 18850.8449 5722.5980 192.1474 -334305.3004 21243.2751 0.0000 0.0000 42432.5589 -222241.0646 154.3580 -264673.6235 -222096.8289 154.3580 -3005.0517 -2588.0013 921491.4634 -3005.0517 -2588.0013
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6425 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2201 21188.8402 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9931 -2462.2930 921491.4634 452.9931 -2462.2930
ENERGY: 205 18189.0792 19868.9415 5735.7153 189.6741 -332398.2553 21197.9185 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9266 -222099.8062 162.5725 731.8533 -2447.6354 921491.4634 731.8533 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0584 -222274.9358 154.3816 -264713.9942 -222100.3399 154.3816 -230.6570 -2488.2938 921491.4634 -230.6570 -2488.2938
ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9791 21289.9001 0.0000 0.0000 42143.6913 -222226.4461 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2701 20371.8903 5718.1572 182.8654 -334789.2375 21322.2409 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8170 20325.0058 5710.3389 180.5135 -335910.2410 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -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 21385.1733 20194.2567 5705.3139 178.4614 -336615.7765 21385.1095 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1926 19985.8630 5704.9373 176.9105 -336667.8924 21415.1476 0.0000 0.0000 43031.7286 -222254.1128 156.5376 -265285.8414 -222106.8541 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2708 19730.8221 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1639 -222249.7029 156.4046 -265244.8668 -222104.2321 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4450 165.2210 -267923.2255 -222097.3837 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3938 21358.4485 0.0000 0.0000 46958.4701 -222681.1887 170.8220 -269639.6589 -222093.7410 170.8220 -143.6687 -2626.0579 921491.4634 -143.6687 -2626.0579
ENERGY: 215 18210.5057 19441.9744 5746.5772 178.1492 -332787.3324 21379.5596 0.0000 0.0000 45302.6744 -222527.8919 164.7987 -267830.5663 -222091.0450 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5106 -222073.6157 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.366, 0.471965/step Wall: 105.365, 0.471965/step, 0.0367084 hours remaining, 3223.839844 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: 238 19419.4412 19404.0884 5740.6977 175.0128 -333964.3148 21778.9044 0.0000 0.0000 44901.2437 -222544.9267 163.3384 -267446.1704 -222065.9775 163.3384 -987.6012 -2425.5309 921491.4634 -987.6012 -2425.5309
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TIMING: 240 CPU: 114.797, 0.471557/step Wall: 114.797, 0.471557/step, 0.0340569 hours remaining, 3223.839844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0419 20119.9135 5760.6910 171.4213 -335766.3624 21854.4253 0.0000 0.0000 42641.4774 -222357.3920 155.1180 -264998.8694 -222074.0953 155.1180 -3844.9083 -2568.3896 921491.4634 -3844.9083 -2568.3896
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ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8718 -222396.7195 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0688 -222575.9246 165.6513 -268112.9934 -222061.6674 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2465 19849.3934 5737.4544 169.6534 -334482.6007 21720.5676 0.0000 0.0000 45629.1660 -222554.1193 165.9864 -268183.2853 -222078.7769 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2369 19811.7598 5725.7785 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1163 -222068.6364 160.6730 -1771.6902 -2533.5454 921491.4634 -1771.6902 -2533.5454
ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1203 21705.0850 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7359 -222067.4294 158.6063 -1173.7930 -2523.3911 921491.4634 -1173.7930 -2523.3911
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1839 21719.8454 0.0000 0.0000 44912.1913 -222431.6935 163.3782 -267343.8848 -222068.1392 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4295 5713.8450 181.3144 -335623.1350 21746.4311 0.0000 0.0000 46185.9362 -222595.6864 168.0117 -268781.6226 -222090.3126 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 21994.9040 20013.1599 5733.2541 193.8023 -336093.2674 21826.9295 0.0000 0.0000 43905.3719 -222425.8456 159.7157 -266331.2175 -222091.3305 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8638 19667.1122 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0191 -222581.3412 165.5893 -268101.3602 -222082.7205 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
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ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9233 21746.1515 0.0000 0.0000 43667.4213 -222349.0410 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4409 18950.9578 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1614 -222297.2438 157.0812 -265478.4052 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5470 -222428.4891 161.8371 -266917.0361 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 124.217, 0.471033/step Wall: 124.217, 0.471033/step, 0.0314022 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9541 19188.2464 5675.1875 191.0393 -336169.7726 21924.7892 0.0000 0.0000 44083.4305 -222362.1255 160.3634 -266445.5561 -222069.6812 160.3634 -3407.4792 -2810.9878 921491.4634 -3407.4792 -2810.9878
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ENERGY: 262 21606.2722 19814.6779 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0575 -222051.1546 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9514 21907.7772 0.0000 0.0000 44751.4785 -222476.8388 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6242 187.4392 -334395.6635 21906.0163 0.0000 0.0000 43607.6377 -222352.1120 158.6326 -265959.7497 -222054.3371 158.6326 -2038.0574 -2683.6034 921491.4634 -2038.0574 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4580 21914.4804 0.0000 0.0000 43399.3800 -222348.1912 157.8750 -265747.5712 -222054.3634 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4857 21930.8374 0.0000 0.0000 44220.2171 -222446.1646 160.8610 -266666.3816 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7451 21959.1257 0.0000 0.0000 44823.5378 -222504.2924 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1931 19450.9167 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3632 -2617.7582 921491.4634 -3583.3632 -2617.7582
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ENERGY: 272 21021.5582 18896.0661 5692.8269 184.9335 -335921.4612 22015.0579 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7411 -222072.9394 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4576 19713.7760 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2539 -222463.7060 161.9961 -266995.9599 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5798 22096.4199 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8157 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.632, 0.470746/step Wall: 133.632, 0.470746/step, 0.0287678 hours remaining, 3224.144531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5379 5669.9796 186.8360 -336942.5034 22176.7654 0.0000 0.0000 45823.3372 -222526.2577 166.6927 -268349.5949 -222063.3315 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9202 22171.0648 0.0000 0.0000 45328.8522 -222487.2586 164.8939 -267816.1108 -222060.8459 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
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ENERGY: 285 20203.3289 20789.9629 5707.3565 186.7145 -334827.1971 22167.0165 0.0000 0.0000 43418.2633 -222354.5545 157.9437 -265772.8179 -222053.5967 157.9437 -1010.8440 -2700.0820 921491.4634 -1010.8440 -2700.0820
ENERGY: 286 19396.6310 20966.5622 5721.5031 185.8230 -334658.1153 22176.6863 0.0000 0.0000 43785.6885 -222425.2213 159.2803 -266210.9097 -222054.0583 159.2803 -1306.7504 -2717.2847 921491.4634 -1306.7504 -2717.2847
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1484 22200.2910 0.0000 0.0000 44282.9440 -222485.6059 161.0892 -266768.5500 -222055.7254 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3151 22237.9037 0.0000 0.0000 44116.9906 -222455.2375 160.4855 -266572.2281 -222066.9052 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -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 ============== 148.964
LDB: Largest compute 200 load 0.520536 is 1.1% of average load 45.804875
LDB: Average compute 0.064162 is 0.1% of average load 45.804875
LDB: TIME 148.966 LOAD: AVG 45.8049 MAX 47.1398 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 148.967 LOAD: AVG 45.8049 MAX 47.1398 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 148.983 LOAD: AVG 45.8049 MAX 46.3236 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 148.984
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.986
Info: Initial time: 4 CPUs 0.471137 s/step 5.45298 days/ns 3224.34 MB memory
TIMING: 300 CPU: 143.061, 0.471459/step Wall: 143.061, 0.471459/step, 0.0261921 hours remaining, 3224.343750 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: 152.293, 0.461569/step Wall: 152.293, 0.461569/step, 0.0230785 hours remaining, 3224.343750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.523, 0.46153/step Wall: 161.523, 0.46153/step, 0.0205125 hours remaining, 3224.343750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.746, 0.461145/step Wall: 170.746, 0.461145/step, 0.0179334 hours remaining, 3224.343750 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 19323.8977 19612.6015 5699.8913 181.0103 -336175.1997 22790.5191 0.0000 0.0000 46034.3488 -222532.9310 167.4603 -268567.2798 -222068.5915 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ENERGY: 368 20561.5937 19748.2123 5739.6692 179.8275 -335728.0875 22808.6651 0.0000 0.0000 44272.8405 -222417.2793 161.0524 -266690.1199 -222068.2912 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
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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: 370 21302.3704 19815.7286 5738.6028 179.1429 -337296.0554 22846.3048 0.0000 0.0000 44920.4942 -222493.4117 163.4084 -267413.9058 -222062.2626 163.4084 -4081.4434 -2576.8190 921491.4634 -4081.4434 -2576.8190
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ENERGY: 377 20646.4607 20251.1591 5706.5522 182.3249 -335763.5795 22794.3772 0.0000 0.0000 43848.2752 -222334.4302 159.5080 -266182.7054 -222041.4012 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8098 20495.6593 5711.4639 183.2952 -336584.2271 22821.5836 0.0000 0.0000 44474.7533 -222423.6620 161.7869 -266898.4153 -222044.3966 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.965, 0.460955/step Wall: 179.965, 0.460955/step, 0.0153652 hours remaining, 3224.343750 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: 380 21458.1129 20605.4119 5719.3306 183.8284 -338176.3449 22892.6528 0.0000 0.0000 44833.7898 -222483.2184 163.0930 -267317.0082 -222063.6482 163.0930 -4580.2702 -2564.2102 921491.4634 -4580.2702 -2564.2102
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ENERGY: 383 21263.6992 19910.9247 5714.6670 180.7420 -337128.0227 22911.2844 0.0000 0.0000 44707.9440 -222438.7614 162.6352 -267146.7054 -222048.1883 162.6352 -2023.0804 -2294.0133 921491.4634 -2023.0804 -2294.0133
ENERGY: 384 19625.4114 19596.0355 5710.5350 179.0647 -336052.0486 22884.2533 0.0000 0.0000 45539.1828 -222517.5658 165.6590 -268056.7487 -222062.0926 165.6590 -569.2381 -2166.9358 921491.4634 -569.2381 -2166.9358
ENERGY: 385 19327.8182 19356.8914 5707.7752 177.4354 -335210.6402 22871.6143 0.0000 0.0000 45299.7168 -222469.3889 164.7879 -267769.1057 -222051.0993 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2273 19220.9466 5707.6638 175.9384 -334865.1819 22880.7957 0.0000 0.0000 44519.8584 -222378.7516 161.9510 -266898.6100 -222051.0437 161.9510 122.6668 -2011.2428 921491.4634 122.6668 -2011.2428
ENERGY: 387 20367.2859 19202.4846 5710.9355 174.6759 -335109.8727 22905.2743 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3986 19280.0169 5717.2935 173.7038 -335824.1518 22938.2900 0.0000 0.0000 44972.7760 -222459.6730 163.5986 -267432.4490 -222067.4816 163.5986 -2063.8553 -2076.2821 921491.4634 -2063.8553 -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
ENERGY: 390 21929.5050 19598.7449 5733.9032 172.7580 -337596.2512 23021.3362 0.0000 0.0000 44698.9837 -222441.0201 162.6026 -267140.0039 -222061.4794 162.6026 -4540.4921 -2229.7774 921491.4634 -4540.4921 -2229.7774
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ENERGY: 397 19906.7785 20200.7710 5721.4919 176.2273 -336102.8180 22990.0374 0.0000 0.0000 44712.8677 -222394.6442 162.6531 -267107.5119 -222042.6600 162.6531 -376.0865 -2327.2104 921491.4634 -376.0865 -2327.2104
ENERGY: 398 19692.8117 20133.3591 5716.9814 176.0456 -336812.3383 23014.0585 0.0000 0.0000 45592.7323 -222486.3497 165.8538 -268079.0820 -222045.7223 165.8538 -1710.2238 -2443.6967 921491.4634 -1710.2238 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 195.118
LDB: Largest compute 230 load 0.525885 is 1.2% of average load 45.722744
LDB: Average compute 0.064032 is 0.1% of average load 45.722744
LDB: TIME 195.12 LOAD: AVG 45.7227 MAX 46.132 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.34 MB
LDB: TIME 195.12 LOAD: AVG 45.7227 MAX 46.132 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: TIME 195.12 LOAD: AVG 45.7227 MAX 46.132 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.34 MB
LDB: ============== END OF LOAD BALANCING =============== 195.121
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.122
Info: Benchmark time: 4 CPUs 0.461264 s/step 5.3387 days/ns 3224.34 MB memory
TIMING: 400 CPU: 189.192, 0.461324/step Wall: 189.192, 0.461324/step, 0.0128146 hours remaining, 3224.343750 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 22444.0478 19835.9109 5715.8942 173.8391 -338107.6288 23109.6378 0.0000 0.0000 44436.8099 -222391.4890 161.6489 -266828.2989 -222049.2226 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9695 19778.4829 5715.7218 174.2695 -337239.9785 23077.8402 0.0000 0.0000 45225.5961 -222483.0984 164.5183 -267708.6946 -222046.6854 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
ENERGY: 404 19687.5955 19735.4029 5713.8114 175.5084 -336169.1144 23038.2900 0.0000 0.0000 45313.8391 -222504.6670 164.8393 -267818.5061 -222060.2373 164.8393 -1967.0749 -2494.0440 921491.4634 -1967.0749 -2494.0440
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ENERGY: 408 19735.8470 19387.6645 5692.2152 187.5226 -335902.8218 23017.8175 0.0000 0.0000 45394.4119 -222487.3432 165.1324 -267881.7551 -222063.5312 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
ENERGY: 409 20350.1188 19376.4608 5688.4775 191.1593 -336896.6846 23057.9924 0.0000 0.0000 45733.6055 -222498.8704 166.3663 -268232.4758 -222051.6705 166.3663 -2367.4919 -2346.9324 921491.4634 -2367.4919 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1802 5687.6650 194.4179 -337813.1844 23106.2031 0.0000 0.0000 45077.0712 -222427.1261 163.9780 -267504.1973 -222054.6427 163.9780 -3838.6210 -2402.0239 921491.4634 -3838.6210 -2402.0239
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ENERGY: 412 22535.8949 19878.8219 5694.3234 198.8205 -338356.4971 23146.2938 0.0000 0.0000 44499.5084 -222402.8342 161.8770 -266902.3426 -222068.4598 161.8770 -4717.2137 -2436.3026 921491.4634 -4717.2137 -2436.3026
ENERGY: 413 21130.1418 20138.5246 5699.9334 199.7191 -337872.5316 23125.1118 0.0000 0.0000 45113.2140 -222465.8869 164.1095 -267579.1009 -222055.3452 164.1095 -3850.6268 -2398.9547 921491.4634 -3850.6268 -2398.9547
ENERGY: 414 19987.3858 20381.5504 5705.1135 199.5118 -337122.7795 23094.4560 0.0000 0.0000 45271.6524 -222483.1096 164.6858 -267754.7620 -222052.1623 164.6858 -2501.3242 -2333.9462 921491.4634 -2501.3242 -2333.9462
ENERGY: 415 19745.2667 20572.1257 5708.7452 198.1487 -336456.1970 23071.1993 0.0000 0.0000 44733.2270 -222427.4844 162.7272 -267160.7114 -222049.0345 162.7272 -1174.6452 -2266.5614 921491.4634 -1174.6452 -2266.5614
ENERGY: 416 19942.3168 20661.9895 5710.0857 195.6953 -336157.5860 23063.1717 0.0000 0.0000 44200.2848 -222384.0421 160.7885 -266584.3270 -222052.9644 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
ENERGY: 417 20031.3748 20631.3208 5709.0494 192.4696 -336373.1073 23072.1100 0.0000 0.0000 44338.4617 -222398.3210 161.2911 -266736.7827 -222044.6993 161.2911 -112.4552 -2227.1698 921491.4634 -112.4552 -2227.1698
ENERGY: 418 20154.6647 20457.0909 5705.5848 188.6536 -336970.7865 23098.6728 0.0000 0.0000 44915.1418 -222450.9778 163.3889 -267366.1197 -222046.7093 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
ENERGY: 419 20790.7631 20185.5524 5700.4811 184.6054 -337717.8754 23139.8025 0.0000 0.0000 45250.3096 -222466.3613 164.6082 -267716.6709 -222049.5950 164.6082 -1783.9419 -2336.6463 921491.4634 -1783.9419 -2336.6463
TIMING: 420 CPU: 198.381, 0.459467/step Wall: 198.381, 0.459467/step, 0.0102104 hours remaining, 3224.343750 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 21418.8985 19324.4274 5689.6737 172.2145 -337416.8955 23180.6041 0.0000 0.0000 45183.9709 -222447.1063 164.3669 -267631.0772 -222051.5232 164.3669 -3955.8306 -2434.9305 921491.4634 -3955.8306 -2434.9305
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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 21768.3701 20188.6723 5710.3547 168.1086 -338651.2100 23176.0846 0.0000 0.0000 45177.9911 -222461.6286 164.3451 -267639.6197 -222065.9059 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9072 20275.9663 5710.3764 168.4633 -338164.0638 23162.2911 0.0000 0.0000 45192.9284 -222453.1311 164.3995 -267646.0595 -222052.5982 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3415 20338.1499 5711.6061 169.3247 -337394.2707 23140.7737 0.0000 0.0000 44883.0997 -222420.9752 163.2724 -267304.0749 -222051.1463 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6559 23123.4099 0.0000 0.0000 44675.9840 -222398.7945 162.5190 -267074.7784 -222049.5889 162.5190 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9242 20349.9982 5717.2346 173.0864 -336303.8816 23119.9080 0.0000 0.0000 44847.0985 -222425.6318 163.1414 -267272.7302 -222059.6959 163.1414 -1520.6600 -2145.1618 921491.4634 -1520.6600 -2145.1618
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ENERGY: 438 19935.1533 20278.6097 5724.6884 179.3848 -336899.4579 23173.5521 0.0000 0.0000 45148.1322 -222459.9374 164.2365 -267608.0696 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.571, 0.45948/step Wall: 207.571, 0.45948/step, 0.007658 hours remaining, 3224.343750 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 22071.5680 20036.2372 5729.7527 186.7201 -338123.1803 23276.2489 0.0000 0.0000 44417.5458 -222405.1076 161.5788 -266822.6534 -222059.4770 161.5788 -2408.4609 -2197.9670 921491.4634 -2408.4609 -2197.9670
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ENERGY: 442 21853.6116 19664.5349 5729.4854 192.9411 -338090.1531 23327.1571 0.0000 0.0000 44880.6319 -222441.7910 163.2634 -267322.4229 -222049.7752 163.2634 -2710.5574 -2229.0694 921491.4634 -2710.5574 -2229.0694
ENERGY: 443 21064.3317 19487.0722 5727.6165 194.9329 -337369.3150 23320.0161 0.0000 0.0000 45118.1104 -222457.2351 164.1273 -267575.3455 -222048.5993 164.1273 -2448.1647 -2220.3529 921491.4634 -2448.1647 -2220.3529
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1925 23301.5279 0.0000 0.0000 44987.7175 -222447.0586 163.6530 -267434.7761 -222057.9796 163.6530 -2090.2098 -2206.4397 921491.4634 -2090.2098 -2206.4397
ENERGY: 445 20125.5609 19307.2517 5723.6513 195.6942 -335759.3918 23283.8142 0.0000 0.0000 44708.7154 -222414.7040 162.6380 -267123.4195 -222046.5427 162.6380 -1846.9625 -2201.6923 921491.4634 -1846.9625 -2201.6923
ENERGY: 446 19947.6804 19324.9005 5722.5430 194.3235 -335494.5712 23276.0454 0.0000 0.0000 44620.2946 -222408.7838 162.3164 -267029.0784 -222046.1619 162.3164 -1800.7516 -2216.7291 921491.4634 -1800.7516 -2216.7291
ENERGY: 447 19914.2849 19416.0210 5722.2107 191.8641 -335769.4404 23282.7461 0.0000 0.0000 44816.5088 -222425.8048 163.0301 -267242.3136 -222046.8341 163.0301 -1993.3110 -2253.0600 921491.4634 -1993.3110 -2253.0600
ENERGY: 448 20187.5922 19583.6800 5722.5764 188.5554 -336503.1804 23303.8907 0.0000 0.0000 45065.6673 -222451.2184 163.9365 -267516.8856 -222059.3479 163.9365 -2372.1876 -2303.7896 921491.4634 -2372.1876 -2303.7896
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4850 20108.1300 5724.4776 181.0897 -338419.3253 23364.6245 0.0000 0.0000 44854.3099 -222432.2085 163.1677 -267286.5184 -222048.7859 163.1677 -3116.6753 -2394.3894 921491.4634 -3116.6753 -2394.3894
ENERGY: 451 22355.5898 20357.7255 5724.7144 177.6517 -338952.0913 23381.8009 0.0000 0.0000 44542.6990 -222411.9099 162.0341 -266954.6089 -222048.8245 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1545 23378.0946 0.0000 0.0000 44452.9198 -222415.1439 161.7075 -266868.0638 -222059.6370 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8729 20641.1312 5722.2878 173.1350 -338392.7943 23354.5910 0.0000 0.0000 44683.7034 -222418.0730 162.5470 -267101.7764 -222043.5371 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3384 20654.1375 5720.2217 172.3637 -337567.1425 23320.6904 0.0000 0.0000 45008.1466 -222443.2441 163.7273 -267451.3907 -222041.8391 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7908 20584.7122 5718.4844 172.5169 -336790.6463 23290.4026 0.0000 0.0000 45086.5791 -222451.1603 164.0126 -267537.7394 -222040.8570 164.0126 -1151.8826 -2255.8571 921491.4634 -1151.8826 -2255.8571
ENERGY: 456 19493.3722 20440.6803 5717.7555 173.4248 -336350.1086 23274.9634 0.0000 0.0000 44811.4728 -222438.4396 163.0118 -267249.9124 -222055.3486 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4930 20251.9437 5718.5580 174.9241 -336395.8174 23277.8278 0.0000 0.0000 44521.8706 -222403.2003 161.9583 -266925.0708 -222049.4133 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8436 20019.2725 5720.7060 176.6081 -336835.0966 23294.7176 0.0000 0.0000 44632.7889 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
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TIMING: 460 CPU: 216.754, 0.45918/step Wall: 216.754, 0.45918/step, 0.005102 hours remaining, 3224.343750 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 -337988.7174 23351.1089 0.0000 0.0000 44559.9291 -222408.2073 162.0968 -266968.1364 -222056.7213 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1795 19513.9018 5738.9361 181.1160 -337284.1033 23326.9481 0.0000 0.0000 44313.4568 -222388.5651 161.2002 -266702.0219 -222054.6241 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2463 19559.9274 5739.2518 181.0096 -336389.3842 23291.1945 0.0000 0.0000 44654.0264 -222428.7282 162.4391 -267082.7546 -222058.5726 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7828 19631.8855 5737.2898 180.7155 -335701.1534 23259.7394 0.0000 0.0000 45094.5686 -222474.1717 164.0416 -267568.7403 -222052.9385 164.0416 -512.3346 -2174.4006 921491.4634 -512.3346 -2174.4006
ENERGY: 466 19088.4510 19708.3582 5733.2107 180.2808 -335443.7723 23245.0606 0.0000 0.0000 45020.7906 -222467.6204 163.7733 -267488.4110 -222052.9783 163.7733 -630.3313 -2182.6708 921491.4634 -630.3313 -2182.6708
ENERGY: 467 19841.8069 19783.1742 5727.6703 179.7757 -335721.0946 23249.4532 0.0000 0.0000 44523.6662 -222415.5480 161.9649 -266939.2142 -222054.3492 161.9649 -1393.6028 -2232.5922 921491.4634 -1393.6028 -2232.5922
ENERGY: 468 20761.8481 19845.4941 5721.5089 179.2778 -336451.5660 23265.8128 0.0000 0.0000 44291.6581 -222385.9661 161.1209 -266677.6243 -222056.3589 161.1209 -2508.6713 -2314.1340 921491.4634 -2508.6713 -2314.1340
ENERGY: 469 21236.3013 19910.2020 5715.6824 178.8504 -337458.3195 23284.3964 0.0000 0.0000 44720.3200 -222412.5671 162.6802 -267132.8871 -222046.0748 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1727 19972.8933 5710.9491 178.5947 -338383.2501 23297.0675 0.0000 0.0000 45346.4574 -222466.1155 164.9579 -267812.5729 -222047.6087 164.9579 -4259.6994 -2477.6831 921491.4634 -4259.6994 -2477.6831
ENERGY: 471 21732.8675 20054.6834 5707.9626 178.5890 -338913.2447 23297.5087 0.0000 0.0000 45471.3366 -222470.2969 165.4122 -267941.6335 -222047.5358 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2361 20161.5551 5707.0091 178.9047 -338870.6766 23279.4493 0.0000 0.0000 45028.5295 -222433.9929 163.8014 -267462.5224 -222059.5058 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1363 20289.3426 5707.9842 179.6165 -338307.7192 23240.7365 0.0000 0.0000 44634.5172 -222389.3859 162.3681 -267023.9031 -222043.8539 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9704 20372.0987 5710.2160 180.7466 -337438.4556 23189.2350 0.0000 0.0000 44733.2307 -222409.9581 162.7272 -267143.1889 -222041.2619 162.7272 -1295.5526 -2316.2729 921491.4634 -1295.5526 -2316.2729
ENERGY: 475 19674.2080 20371.7676 5712.9876 182.2512 -336604.2319 23142.3819 0.0000 0.0000 45070.2141 -222450.4216 163.9531 -267520.6357 -222039.4530 163.9531 -344.6450 -2232.2126 921491.4634 -344.6450 -2232.2126
ENERGY: 476 19235.7862 20282.0277 5715.7683 184.0125 -336100.0909 23115.8467 0.0000 0.0000 45106.0635 -222460.5859 164.0835 -267566.6495 -222053.6136 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7251 20145.9816 5718.4976 185.9230 -336101.8795 23114.2940 0.0000 0.0000 44812.3210 -222420.1372 163.0149 -267232.4582 -222044.8409 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4776 19974.7641 5721.0254 187.7262 -336537.4041 23131.2460 0.0000 0.0000 44627.0335 -222402.1313 162.3409 -267029.1647 -222047.4105 162.3409 -1807.1604 -2198.7956 921491.4634 -1807.1604 -2198.7956
ENERGY: 479 21125.3055 19793.3959 5723.3295 189.2099 -337215.5842 23156.6771 0.0000 0.0000 44802.1582 -222425.5081 162.9779 -267227.6663 -222050.5458 162.9779 -3089.8515 -2246.7918 921491.4634 -3089.8515 -2246.7918
TIMING: 480 CPU: 225.931, 0.458838/step Wall: 225.931, 0.458838/step, 0.0025491 hours remaining, 3224.343750 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 21624.0323 19623.1968 5725.3111 190.1900 -337854.6788 23181.5117 0.0000 0.0000 45051.6820 -222458.7549 163.8856 -267510.4369 -222064.6208 163.8856 -4077.7325 -2291.4892 921491.4634 -4077.7325 -2291.4892
ENERGY: 481 22092.4852 19510.0436 5727.0952 190.6351 -338199.2483 23196.7957 0.0000 0.0000 45041.3373 -222440.8562 163.8480 -267482.1934 -222052.5264 163.8480 -4466.2393 -2305.6732 921491.4634 -4466.2393 -2305.6732
ENERGY: 482 22186.3468 19466.6797 5728.4964 190.3598 -338044.5421 23192.7472 0.0000 0.0000 44865.8524 -222414.0599 163.2096 -267279.9122 -222051.4111 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1414 19511.5747 5729.5660 189.3227 -337426.2188 23165.8738 0.0000 0.0000 44861.8974 -222414.8428 163.1953 -267276.7402 -222048.7671 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8925 19631.1941 5730.2465 187.5455 -336590.8886 23126.1348 0.0000 0.0000 45003.6038 -222451.2714 163.7107 -267454.8752 -222059.8739 163.7107 -1565.2425 -2143.1849 921491.4634 -1565.2425 -2143.1849
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5867 23092.8467 0.0000 0.0000 44955.5732 -222449.3242 163.5360 -267404.8974 -222045.9602 163.5360 -422.1570 -2086.8735 921491.4634 -422.1570 -2086.8735
ENERGY: 486 19602.5427 19954.8176 5729.7198 182.4662 -335612.3567 23080.3803 0.0000 0.0000 44645.9123 -222416.5178 162.4096 -267062.4301 -222044.6757 162.4096 87.3180 -2070.0982 921491.4634 87.3180 -2070.0982
ENERGY: 487 19881.0926 20072.0212 5727.4348 179.4360 -335846.4479 23091.0540 0.0000 0.0000 44503.3499 -222392.0596 161.8910 -266895.4095 -222045.2403 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2097 20156.1360 5723.5441 176.4338 -336552.5450 23118.8612 0.0000 0.0000 44827.0564 -222425.3039 163.0685 -267252.3602 -222057.1936 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8868 20236.4607 5718.5749 173.8639 -337540.4653 23156.7305 0.0000 0.0000 45266.1014 -222461.8471 164.6656 -267727.9485 -222045.6083 164.6656 -2511.2404 -2316.7067 921491.4634 -2511.2404 -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 21410.7487 20292.9020 5712.8912 171.8438 -338458.1360 23196.4873 0.0000 0.0000 45213.5640 -222459.6991 164.4745 -267673.2631 -222048.2205 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4640 20312.1360 5707.3795 170.5404 -338984.5796 23226.0933 0.0000 0.0000 44733.0098 -222404.9566 162.7264 -267137.9664 -222049.4636 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9550 20289.6812 5702.9944 170.0208 -338937.5823 23232.7201 0.0000 0.0000 44542.1958 -222387.0150 162.0323 -266929.2108 -222060.3860 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2191 20260.7377 5700.7779 170.3200 -338358.0643 23214.0533 0.0000 0.0000 45033.8238 -222420.1325 163.8207 -267453.9563 -222046.5900 163.8207 -3796.3822 -2540.0998 921491.4634 -3796.3822 -2540.0998
ENERGY: 494 20068.3368 20225.0264 5700.9805 171.2193 -337454.3847 23183.0792 0.0000 0.0000 45622.2486 -222483.4939 165.9612 -268105.7424 -222044.0867 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2464 20186.8304 5703.5926 172.5416 -336566.9899 23159.4622 0.0000 0.0000 45484.1242 -222477.1925 165.4587 -267961.3167 -222041.5563 165.4587 -1249.6840 -2407.3057 921491.4634 -1249.6840 -2407.3057
ENERGY: 496 19722.4835 20130.6476 5708.0350 174.0933 -335998.7164 23154.2633 0.0000 0.0000 44699.5281 -222409.6657 162.6046 -267109.1938 -222049.0667 162.6046 -478.8998 -2343.4751 921491.4634 -478.8998 -2343.4751
ENERGY: 497 20212.6668 20059.9179 5713.4613 175.7242 -335952.5049 23166.3543 0.0000 0.0000 44261.0299 -222363.3507 161.0095 -266624.3806 -222042.7497 161.0095 -421.0232 -2316.7928 921491.4634 -421.0232 -2316.7928
ENERGY: 498 20182.0162 19957.1217 5718.5596 177.2604 -336366.4939 23189.3583 0.0000 0.0000 44728.2546 -222413.9230 162.7091 -267142.1777 -222044.5217 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0674 19847.7310 5722.4089 178.6361 -337058.4830 23219.2402 0.0000 0.0000 45439.2657 -222493.1336 165.2956 -267932.3993 -222047.2059 165.2956 -2020.8685 -2376.3390 921491.4634 -2020.8685 -2376.3390
Info: Benchmark time: 4 CPUs 0.458403 s/step 5.30558 days/ns 3224.34 MB memory
TIMING: 500 CPU: 235.032, 0.455056/step Wall: 235.032, 0.455056/step, 0 hours remaining, 3224.343750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8934 19756.6585 5724.4523 179.8271 -337741.4202 23251.1008 0.0000 0.0000 45359.0790 -222495.4091 165.0039 -267854.4881 -222061.0909 165.0039 -3197.5167 -2425.4143 921491.4634 -3197.5167 -2425.4143
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, 3229.793 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.793 MB of memory in use
====================================================
WallClock: 241.852417 CPUTime: 241.852417 Memory: 3229.792969 MB
[Partition 0][Node 0] End of program
Application 109443698 resources: utime ~950s, stime ~19s, Rss ~127420, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.852417
CPU=241.852417
MEM=3229.792969
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins9912481405917139066.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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