Skipping 713 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.1436
LDB: Largest compute 200 load 0.428554 is 1.2% of average load 36.831021
LDB: Average compute 0.051596 is 0.1% of average load 36.831021
LDB: Partitioning computes with target load 3.683102
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056404
LDB: ============== END OF LOAD BALANCING =============== 54.1458
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1467
Info: Initial time: 4 CPUs 0.472696 s/step 5.47101 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.2409, 0.471744/step Wall: 48.2409, 0.471744/step, 0.052416 hours remaining, 3221.542969 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 ============== 63.5621
LDB: ============== END OF LOAD BALANCING =============== 63.5622
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5627
TIMING: 120 CPU: 57.6568, 0.470795/step Wall: 57.6568, 0.470795/step, 0.049695 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 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7054 -2927.3524 921491.4634 -2704.7054 -2927.3524
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TIMING: 140 CPU: 67.0667, 0.470496/step Wall: 67.0667, 0.470496/step, 0.0470496 hours remaining, 3221.988281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.4669, 0.470008/step Wall: 76.4669, 0.470008/step, 0.0443897 hours remaining, 3222.210938 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: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
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ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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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: 178 21917.7899 18733.9560 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1544 -222314.9824 156.7902 -265416.1367 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.8568, 0.469495/step Wall: 85.8568, 0.469495/step, 0.0417329 hours remaining, 3222.210938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0406 19234.9572 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0056 -222222.0799 154.4178 -264671.0855 -222130.9078 154.4178 -3641.8537 -2802.0866 921491.4634 -3641.8537 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3669 19122.7581 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3653 -222242.4589 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2862 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.149
LDB: Largest compute 200 load 0.423365 is 1.2% of average load 36.653684
LDB: Average compute 0.051337 is 0.1% of average load 36.653684
LDB: TIME 101.151 LOAD: AVG 36.6537 MAX 37.5863 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.153 LOAD: AVG 36.6537 MAX 37.4984 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.155
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.158
Info: Initial time: 4 CPUs 0.469987 s/step 5.43967 days/ns 3223.59 MB memory
TIMING: 200 CPU: 95.2497, 0.469643/step Wall: 95.2497, 0.469643/step, 0.0391369 hours remaining, 3223.593750 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: 201 23380.1027 18674.3332 5716.2802 191.4189 -334751.7129 21239.1340 0.0000 0.0000 43222.4694 -222327.9745 157.2315 -265550.4439 -222100.1081 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8114 18850.8449 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5587 -222241.0650 154.3580 -264673.6237 -222096.8294 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8943 19130.0389 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6986 -222431.1637 160.2771 -266490.8623 -222093.6430 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2197 21188.8402 0.0000 0.0000 45629.4718 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2550 21197.9185 0.0000 0.0000 44690.7148 -222526.2117 162.5725 -267216.9264 -222099.8060 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
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ENERGY: 207 21693.8031 20338.2892 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2702 20371.8905 5718.1572 182.8654 -334789.2379 21322.2409 0.0000 0.0000 44428.6270 -222472.1868 161.6191 -266900.8138 -222122.6316 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8170 20325.0060 5710.3389 180.5135 -335910.2415 21349.5043 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0618 -222106.7903 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2570 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3662 -2896.2628 921491.4634 -6091.3662 -2896.2628
ENERGY: 211 24099.1925 19985.8633 5704.9373 176.9105 -336667.8928 21415.1476 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2976 -2885.1011 921491.4634 -5900.2976 -2885.1011
ENERGY: 212 23739.2707 19730.8224 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2159 19524.5250 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3117 -2725.0842 921491.4634 -2174.3117 -2725.0842
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4701 -222681.1886 170.8220 -269639.6587 -222093.7409 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3322 21379.5595 0.0000 0.0000 45302.6744 -222527.8918 164.7987 -267830.5662 -222091.0449 164.7987 784.0012 -2554.0369 921491.4634 784.0012 -2554.0369
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5106 -222073.6158 154.3930 420.9899 -2541.5429 921491.4634 420.9899 -2541.5429
ENERGY: 217 21778.3867 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 -882.1701 -2598.7244 921491.4634 -882.1701 -2598.7244
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1146 21546.6560 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
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TIMING: 220 CPU: 104.663, 0.470664/step Wall: 104.663, 0.470664/step, 0.0366072 hours remaining, 3223.593750 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 19419.4413 19404.0882 5740.6977 175.0128 -333964.3147 21778.9042 0.0000 0.0000 44901.2435 -222544.9270 163.3384 -267446.1705 -222065.9778 163.3384 -987.6014 -2425.5309 921491.4634 -987.6014 -2425.5309
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TIMING: 240 CPU: 114.064, 0.470058/step Wall: 114.064, 0.470058/step, 0.0339487 hours remaining, 3223.593750 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 22861.0418 20119.9134 5760.6910 171.4213 -335766.3621 21854.4252 0.0000 0.0000 42641.4775 -222357.3921 155.1180 -264998.8696 -222074.0955 155.1180 -3844.9083 -2568.3896 921491.4634 -3844.9083 -2568.3896
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ENERGY: 242 22110.7714 20111.8209 5758.5348 169.0441 -335904.8193 21831.0566 0.0000 0.0000 43526.8718 -222396.7197 158.3388 -265923.5915 -222063.5738 158.3388 -4623.1687 -2633.0913 921491.4634 -4623.1687 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7066 21770.4747 0.0000 0.0000 45537.0688 -222575.9247 165.6513 -268112.9935 -222061.6676 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3936 5737.4544 169.6534 -334482.6009 21720.5675 0.0000 0.0000 45629.1660 -222554.1196 165.9864 -268183.2856 -222078.7772 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7601 5725.7785 171.4559 -334087.5947 21701.2469 0.0000 0.0000 44168.5247 -222360.5919 160.6730 -266529.1165 -222068.6367 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5481 19853.7027 5716.8932 174.1558 -334213.1207 21705.0849 0.0000 0.0000 43600.4181 -222284.3180 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7931 -2523.3912 921491.4634 -1173.7931 -2523.3912
ENERGY: 247 19868.5287 19979.6442 5712.7400 177.5412 -334802.1844 21719.8453 0.0000 0.0000 44912.1911 -222431.6939 163.3782 -267343.8849 -222068.1395 163.3782 -983.0002 -2552.5931 921491.4634 -983.0002 -2552.5931
ENERGY: 248 19035.4925 20164.4299 5713.8450 181.3144 -335623.1352 21746.4309 0.0000 0.0000 46185.9360 -222595.6865 168.0117 -268781.6225 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9039 20013.1599 5733.2541 193.8023 -336093.2675 21826.9294 0.0000 0.0000 43905.3720 -222425.8459 159.7157 -266331.2179 -222091.3308 159.7157 -3843.4680 -2758.0339 921491.4634 -3843.4680 -2758.0339
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1806 21784.0535 0.0000 0.0000 45520.0191 -222581.3415 165.5893 -268101.3606 -222082.7208 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
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ENERGY: 255 20324.2312 19109.4100 5707.6062 196.0620 -333099.9234 21746.1514 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4626 -222078.3979 158.8501 -2282.5427 -2662.7815 921491.4634 -2282.5427 -2662.7815
ENERGY: 256 20899.4410 18950.9576 5693.4518 195.6570 -332975.5974 21757.6846 0.0000 0.0000 43181.1613 -222297.2441 157.0812 -265478.4054 -222071.2742 157.0812 -2042.2411 -2664.5199 921491.4634 -2042.2411 -2664.5199
ENERGY: 257 20029.5654 18878.1872 5681.1759 194.7976 -333481.0041 21780.2418 0.0000 0.0000 44488.5469 -222428.4894 161.8371 -266917.0363 -222060.1687 161.8371 -2035.5365 -2692.1443 921491.4634 -2035.5365 -2692.1443
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1545 21817.5076 0.0000 0.0000 45796.2578 -222556.7765 166.5942 -268353.0343 -222062.0611 166.5942 -2331.2330 -2737.1920 921491.4634 -2331.2330 -2737.1920
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TIMING: 260 CPU: 123.464, 0.469997/step Wall: 123.464, 0.469997/step, 0.0313331 hours remaining, 3223.898438 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 21606.2722 19814.6778 5694.0656 188.7122 -336291.7856 21947.6072 0.0000 0.0000 44601.6345 -222438.8160 162.2485 -267040.4506 -222052.4323 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1227 20140.5624 5703.8103 187.9445 -335614.9711 21924.4738 0.0000 0.0000 45349.7770 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4307 5710.6950 187.5052 -334855.9512 21907.7771 0.0000 0.0000 44751.4783 -222476.8390 162.7936 -267228.3173 -222069.1985 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8415 20681.9928 5713.6241 187.4392 -334395.6634 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0575 -2683.6035 921491.4634 -2038.0575 -2683.6035
ENERGY: 266 20048.7900 20788.8703 5712.1327 187.6137 -334399.4579 21914.4803 0.0000 0.0000 43399.3795 -222348.1914 157.8750 -265747.5709 -222054.3636 157.8750 -2130.7243 -2664.5957 921491.4634 -2130.7243 -2664.5957
ENERGY: 267 19648.0906 20691.2681 5707.0583 187.8501 -334831.4857 21930.8372 0.0000 0.0000 44220.2166 -222446.1647 160.8610 -266666.3813 -222055.6586 160.8610 -2435.4237 -2662.6784 921491.4634 -2435.4237 -2662.6784
ENERGY: 268 19962.9160 20375.7518 5700.1930 187.9286 -335513.7449 21959.1255 0.0000 0.0000 44823.5375 -222504.2925 163.0557 -267327.8299 -222075.9876 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1930 19450.9168 5690.3173 187.1618 -336650.6770 22028.8068 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
ENERGY: 271 22345.5820 19078.8065 5690.0209 186.1610 -336571.7887 22035.2499 0.0000 0.0000 44829.4471 -222406.5212 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2172 -2569.2622 921491.4634 -3261.2172 -2569.2622
ENERGY: 272 21021.5582 18896.0661 5692.8269 184.9335 -335921.4607 22015.0578 0.0000 0.0000 45607.7075 -222503.3108 165.9083 -268111.0183 -222081.1570 165.9083 -2551.9681 -2501.8804 921491.4634 -2551.9681 -2501.8804
ENERGY: 273 20123.2134 18932.9079 5697.5118 183.8526 -334925.7005 21985.5294 0.0000 0.0000 45502.7160 -222499.9693 165.5264 -268002.6853 -222069.0457 165.5264 -1837.1973 -2434.6759 921491.4634 -1837.1973 -2434.6759
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ENERGY: 276 19401.8503 19594.7506 5701.2547 182.4904 -333292.1279 21971.0408 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1302 -2417.6040 921491.4634 -1580.1302 -2417.6040
ENERGY: 277 19149.2973 19724.7158 5695.5210 182.9396 -333864.3451 21997.2385 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7547 -2498.0545 921491.4634 -2311.7547 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1001 22041.3357 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3647 19593.9431 5677.5176 184.5187 -335888.5797 22096.4197 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 132.846, 0.469101/step Wall: 132.846, 0.469101/step, 0.0286673 hours remaining, 3223.898438 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 20943.7896 19615.5381 5669.9796 186.8360 -336942.5033 22176.7652 0.0000 0.0000 45823.3370 -222526.2578 166.6927 -268349.5948 -222063.3316 166.6927 -2992.3270 -2779.3669 921491.4634 -2992.3270 -2779.3669
ENERGY: 283 20432.1060 19966.6617 5678.8138 187.1634 -336251.9201 22171.0646 0.0000 0.0000 45328.8520 -222487.2587 164.8939 -267816.1107 -222060.8460 164.8939 -2008.7736 -2748.2307 921491.4634 -2008.7736 -2748.2307
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ENERGY: 286 19396.6310 20966.5624 5721.5032 185.8230 -334658.1150 22176.6860 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7505 -2717.2848 921491.4634 -1306.7505 -2717.2848
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1481 22200.2908 0.0000 0.0000 44282.9438 -222485.6059 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9615 -2753.3345 921491.4634 -2148.9615 -2753.3345
ENERGY: 288 20263.2088 20475.2852 5736.9558 182.7335 -335468.3148 22237.9035 0.0000 0.0000 44116.9905 -222455.2376 160.4855 -266572.2281 -222066.9054 160.4855 -3310.5881 -2790.1555 921491.4634 -3310.5881 -2790.1555
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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 ============== 148.153
LDB: Largest compute 200 load 0.521957 is 1.1% of average load 45.775310
LDB: Average compute 0.064122 is 0.1% of average load 45.775310
LDB: TIME 148.155 LOAD: AVG 45.7753 MAX 46.9898 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 148.156 LOAD: AVG 45.7753 MAX 46.9898 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 148.17 LOAD: AVG 45.7753 MAX 46.2782 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 148.171
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.173
Info: Initial time: 4 CPUs 0.469646 s/step 5.43572 days/ns 3224.1 MB memory
TIMING: 300 CPU: 142.234, 0.46939/step Wall: 142.234, 0.46939/step, 0.0260772 hours remaining, 3224.097656 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: 151.452, 0.460927/step Wall: 151.452, 0.460927/step, 0.0230464 hours remaining, 3224.097656 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: 160.665, 0.46064/step Wall: 160.665, 0.46064/step, 0.0204729 hours remaining, 3224.097656 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: 358 20785.4067 20424.8432 5696.9832 182.1295 -336225.9477 22730.2414 0.0000 0.0000 44019.5822 -222386.7616 160.1311 -266406.3438 -222043.9945 160.1311 -2636.8582 -2541.3593 921491.4634 -2636.8582 -2541.3593
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TIMING: 360 CPU: 169.873, 0.460368/step Wall: 169.873, 0.460368/step, 0.0179032 hours remaining, 3224.097656 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: 360 21112.5810 20418.0336 5690.9151 182.1442 -338077.5502 22797.1673 0.0000 0.0000 45362.4567 -222514.2523 165.0162 -267876.7090 -222065.3875 165.0162 -3505.9502 -2622.8572 921491.4634 -3505.9502 -2622.8572
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ENERGY: 362 22808.5999 20031.2790 5688.3203 181.6679 -338079.7605 22835.7522 0.0000 0.0000 44200.9552 -222333.1860 160.7909 -266534.1412 -222051.2756 160.7909 -3087.0694 -2583.1906 921491.4634 -3087.0694 -2583.1906
ENERGY: 363 21303.6019 19794.1188 5692.1162 181.3427 -337235.0083 22818.0648 0.0000 0.0000 45033.6626 -222412.1013 163.8201 -267445.7639 -222049.5299 163.8201 -2242.6818 -2529.7064 921491.4634 -2242.6818 -2529.7064
ENERGY: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.1996 22790.5190 0.0000 0.0000 46034.3487 -222532.9313 167.4603 -268567.2800 -222068.5918 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
ENERGY: 365 18830.5842 19548.3420 5710.7558 180.6857 -335316.0967 22775.7827 0.0000 0.0000 45760.0886 -222509.8577 166.4626 -268269.9463 -222057.4403 166.4626 -1100.2608 -2433.4822 921491.4634 -1100.2608 -2433.4822
ENERGY: 366 19854.2640 19578.5649 5722.5902 180.3919 -334923.1928 22780.3499 0.0000 0.0000 44422.2469 -222384.7849 161.5959 -266807.0318 -222057.2778 161.5959 -1392.6928 -2417.6863 921491.4634 -1392.6928 -2417.6863
ENERGY: 367 20741.0597 19662.8835 5732.9484 180.1165 -335098.3156 22794.3492 0.0000 0.0000 43662.6183 -222324.3401 158.8326 -265986.9584 -222058.3714 158.8326 -2104.1276 -2437.9268 921491.4634 -2104.1276 -2437.9268
ENERGY: 368 20561.5938 19748.2120 5739.6691 179.8275 -335728.0875 22808.6650 0.0000 0.0000 44272.8405 -222417.2796 161.0524 -266690.1201 -222068.2915 161.0524 -2928.4888 -2487.3070 921491.4634 -2928.4888 -2487.3070
ENERGY: 369 20346.9677 19812.6206 5741.6369 179.5048 -336580.3308 22825.3357 0.0000 0.0000 45155.6306 -222518.6343 164.2638 -267674.2650 -222061.1004 164.2638 -3666.9890 -2542.4574 921491.4634 -3666.9890 -2542.4574
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 19815.7283 5738.6028 179.1429 -337296.0554 22846.3048 0.0000 0.0000 44920.4943 -222493.4119 163.4084 -267413.9062 -222062.2629 163.4084 -4081.4433 -2576.8189 921491.4634 -4081.4433 -2576.8189
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ENERGY: 374 19285.9366 19613.0721 5706.5680 179.1985 -336019.1238 22785.5048 0.0000 0.0000 45912.3280 -222536.5158 167.0164 -268448.8438 -222048.2693 167.0164 -983.4307 -2469.0311 921491.4634 -983.4307 -2469.0311
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ENERGY: 376 19884.0274 19962.1766 5703.2010 181.1433 -335321.8637 22772.8700 0.0000 0.0000 44434.3275 -222384.1177 161.6399 -266818.4452 -222050.5531 161.6399 -874.6225 -2439.6903 921491.4634 -874.6225 -2439.6903
ENERGY: 377 20646.4609 20251.1596 5706.5521 182.3248 -335763.5806 22794.3773 0.0000 0.0000 43848.2754 -222334.4304 159.5080 -266182.7058 -222041.4014 159.5080 -1819.5860 -2472.4986 921491.4634 -1819.5860 -2472.4986
ENERGY: 378 20473.8100 20495.6597 5711.4639 183.2952 -336584.2282 22821.5836 0.0000 0.0000 44474.7535 -222423.6622 161.7869 -266898.4158 -222044.3969 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
ENERGY: 379 20419.4576 20623.8794 5716.2160 183.8420 -337495.6098 22854.5153 0.0000 0.0000 45185.6413 -222512.0584 164.3729 -267697.6996 -222047.0131 164.3729 -3997.4171 -2563.3072 921491.4634 -3997.4171 -2563.3072
TIMING: 380 CPU: 179.071, 0.459901/step Wall: 179.071, 0.459901/step, 0.01533 hours remaining, 3224.097656 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 21458.1130 20605.4121 5719.3306 183.8284 -338176.3451 22892.6529 0.0000 0.0000 44833.7901 -222483.2180 163.0930 -267317.0081 -222063.6478 163.0930 -4580.2698 -2564.2100 921491.4634 -4580.2698 -2564.2100
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ENERGY: 383 21263.6991 19910.9245 5714.6670 180.7420 -337128.0226 22911.2846 0.0000 0.0000 44707.9444 -222438.7610 162.6352 -267146.7054 -222048.1879 162.6352 -2023.0800 -2294.0130 921491.4634 -2023.0800 -2294.0130
ENERGY: 384 19625.4114 19596.0352 5710.5349 179.0647 -336052.0488 22884.2535 0.0000 0.0000 45539.1832 -222517.5659 165.6590 -268056.7491 -222062.0927 165.6590 -569.2379 -2166.9356 921491.4634 -569.2379 -2166.9356
ENERGY: 385 19327.8182 19356.8910 5707.7751 177.4354 -335210.6404 22871.6145 0.0000 0.0000 45299.7170 -222469.3891 164.7879 -267769.1061 -222051.0994 164.7879 215.3513 -2064.3635 921491.4634 215.3513 -2064.3635
ENERGY: 386 19981.2275 19220.9463 5707.6637 175.9385 -334865.1822 22880.7960 0.0000 0.0000 44519.8586 -222378.7517 161.9510 -266898.6103 -222051.0439 161.9510 122.6667 -2011.2426 921491.4634 122.6667 -2011.2426
ENERGY: 387 20367.2861 19202.4842 5710.9354 174.6759 -335109.8730 22905.2746 0.0000 0.0000 44377.1816 -222372.0351 161.4320 -266749.2167 -222053.0051 161.4320 -738.9586 -2019.1687 921491.4634 -738.9586 -2019.1687
ENERGY: 388 20282.3988 19280.0166 5717.2934 173.7038 -335824.1523 22938.2903 0.0000 0.0000 44972.7761 -222459.6733 163.5986 -267432.4495 -222067.4820 163.5986 -2063.8554 -2076.2820 921491.4634 -2063.8554 -2076.2820
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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: 397 19906.7785 20200.7714 5721.4919 176.2273 -336102.8183 22990.0381 0.0000 0.0000 44712.8671 -222394.6441 162.6531 -267107.5112 -222042.6599 162.6531 -376.0864 -2327.2101 921491.4634 -376.0864 -2327.2101
ENERGY: 398 19692.8116 20133.3594 5716.9814 176.0456 -336812.3384 23014.0591 0.0000 0.0000 45592.7317 -222486.3496 165.8538 -268079.0813 -222045.7222 165.8538 -1710.2237 -2443.6964 921491.4634 -1710.2237 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.209
LDB: Largest compute 230 load 0.521067 is 1.1% of average load 45.679468
LDB: Average compute 0.063971 is 0.1% of average load 45.679468
LDB: TIME 194.211 LOAD: AVG 45.6795 MAX 46.0365 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 194.212 LOAD: AVG 45.6795 MAX 46.0365 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 194.212 LOAD: AVG 45.6795 MAX 46.0365 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 194.212
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.213
Info: Benchmark time: 4 CPUs 0.4603 s/step 5.32755 days/ns 3224.1 MB memory
TIMING: 400 CPU: 188.268, 0.459869/step Wall: 188.268, 0.459869/step, 0.0127741 hours remaining, 3224.097656 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: 400 21983.9555 19981.4883 5714.2278 174.7230 -338264.6727 23090.3534 0.0000 0.0000 44890.2676 -222429.6572 163.2985 -267319.9248 -222060.6833 163.2985 -4748.6074 -2656.9996 921491.4634 -4748.6074 -2656.9996
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ENERGY: 402 22444.0476 19835.9107 5715.8942 173.8391 -338107.6282 23109.6384 0.0000 0.0000 44436.8090 -222391.4891 161.6489 -266828.2981 -222049.2227 161.6489 -4939.3790 -2681.7023 921491.4634 -4939.3790 -2681.7023
ENERGY: 403 20784.9692 19778.4826 5715.7218 174.2695 -337239.9779 23077.8408 0.0000 0.0000 45225.5954 -222483.0986 164.5183 -267708.6939 -222046.6855 164.5183 -3613.5975 -2605.7426 921491.4634 -3613.5975 -2605.7426
ENERGY: 404 19687.5953 19735.4026 5713.8113 175.5084 -336169.1135 23038.2906 0.0000 0.0000 45313.8384 -222504.6668 164.8393 -267818.5052 -222060.2370 164.8393 -1967.0745 -2494.0436 921491.4634 -1967.0745 -2494.0436
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ENERGY: 408 19735.8470 19387.6642 5692.2151 187.5226 -335902.8222 23017.8179 0.0000 0.0000 45394.4117 -222487.3435 165.1324 -267881.7553 -222063.5315 165.1324 -920.8281 -2294.1554 921491.4634 -920.8281 -2294.1554
ENERGY: 409 20350.1188 19376.4607 5688.4775 191.1593 -336896.6851 23057.9928 0.0000 0.0000 45733.6055 -222498.8707 166.3663 -268232.4761 -222051.6708 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -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 21850.5211 19470.1803 5687.6649 194.4179 -337813.1850 23106.2034 0.0000 0.0000 45077.0712 -222427.1263 163.9780 -267504.1975 -222054.6430 163.9780 -3838.6209 -2402.0239 921491.4634 -3838.6209 -2402.0239
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ENERGY: 412 22535.8949 19878.8223 5694.3233 198.8205 -338356.4982 23146.2940 0.0000 0.0000 44499.5085 -222402.8348 161.8770 -266902.3433 -222068.4604 161.8770 -4717.2138 -2436.3029 921491.4634 -4717.2138 -2436.3029
ENERGY: 413 21130.1415 20138.5251 5699.9333 199.7191 -337872.5328 23125.1120 0.0000 0.0000 45113.2143 -222465.8874 164.1095 -267579.1017 -222055.3458 164.1095 -3850.6269 -2398.9550 921491.4634 -3850.6269 -2398.9550
ENERGY: 414 19987.3856 20381.5509 5705.1134 199.5118 -337122.7808 23094.4561 0.0000 0.0000 45271.6527 -222483.1102 164.6858 -267754.7629 -222052.1628 164.6858 -2501.3244 -2333.9465 921491.4634 -2501.3244 -2333.9465
ENERGY: 415 19745.2667 20572.1262 5708.7451 198.1487 -336456.1983 23071.1994 0.0000 0.0000 44733.2273 -222427.4849 162.7272 -267160.7122 -222049.0351 162.7272 -1174.6455 -2266.5617 921491.4634 -1174.6455 -2266.5617
ENERGY: 416 19942.3170 20661.9898 5710.0857 195.6953 -336157.5866 23063.1717 0.0000 0.0000 44200.2850 -222384.0421 160.7885 -266584.3271 -222052.9644 160.7885 -282.7615 -2224.6896 921491.4634 -282.7615 -2224.6896
ENERGY: 417 20031.3749 20631.3211 5709.0493 192.4696 -336373.1078 23072.1100 0.0000 0.0000 44338.4620 -222398.3209 161.2911 -266736.7829 -222044.6993 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6536 -336970.7868 23098.6727 0.0000 0.0000 44915.1423 -222450.9778 163.3889 -267366.1201 -222046.7093 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7632 20185.5523 5700.4810 184.6054 -337717.8755 23139.8023 0.0000 0.0000 45250.3099 -222466.3613 164.6082 -267716.6712 -222049.5950 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 197.442, 0.458698/step Wall: 197.442, 0.458698/step, 0.0101933 hours remaining, 3224.097656 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 21418.8983 19324.4269 5689.6736 172.2145 -337416.8948 23180.6038 0.0000 0.0000 45183.9712 -222447.1065 164.3669 -267631.0777 -222051.5234 164.3669 -3955.8306 -2434.9306 921491.4634 -3955.8306 -2434.9306
ENERGY: 424 20531.3309 19270.7811 5692.6542 170.6563 -336406.2755 23140.4643 0.0000 0.0000 45151.0456 -222449.3430 164.2471 -267600.3887 -222060.4127 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 427 19598.5316 19595.2896 5707.1504 168.7509 -335498.4313 23074.5002 0.0000 0.0000 44915.2776 -222438.9309 163.3894 -267354.2086 -222048.7337 163.3894 -741.9011 -2207.6355 921491.4634 -741.9011 -2207.6355
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9847 23087.7672 0.0000 0.0000 44884.2595 -222448.1296 163.2766 -267332.3892 -222058.0549 163.2766 -935.5734 -2206.9586 921491.4634 -935.5734 -2206.9586
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9871 20024.3739 5712.1699 168.1897 -338096.9199 23149.4488 0.0000 0.0000 44626.3098 -222402.4406 162.3383 -267028.7504 -222047.3914 162.3383 -2472.2456 -2268.0466 921491.4634 -2472.2456 -2268.0466
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ENERGY: 432 21768.3700 20188.6728 5710.3546 168.1086 -338651.2096 23176.0841 0.0000 0.0000 45177.9910 -222461.6285 164.3451 -267639.6195 -222065.9058 164.3451 -3350.2741 -2296.1498 921491.4634 -3350.2741 -2296.1498
ENERGY: 433 21200.9069 20275.9668 5710.3763 168.4633 -338164.0633 23162.2906 0.0000 0.0000 45192.9284 -222453.1311 164.3995 -267646.0595 -222052.5982 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3412 20338.1504 5711.6060 169.3247 -337394.2701 23140.7730 0.0000 0.0000 44883.0996 -222420.9751 163.2724 -267304.0747 -222051.1462 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2202 20362.4019 5714.0003 170.8455 -336680.6552 23123.4093 0.0000 0.0000 44675.9836 -222398.7944 162.5189 -267074.7780 -222049.5888 162.5189 -2061.3585 -2179.8952 921491.4634 -2061.3585 -2179.8952
ENERGY: 436 19670.9244 20349.9985 5717.2345 173.0864 -336303.8807 23119.9073 0.0000 0.0000 44847.0980 -222425.6316 163.1414 -267272.7296 -222059.6959 163.1414 -1520.6601 -2145.1618 921491.4634 -1520.6601 -2145.1618
ENERGY: 437 19434.5517 20329.5096 5720.9893 175.9827 -336411.9778 23136.3864 0.0000 0.0000 45159.2683 -222455.2900 164.2770 -267614.5583 -222050.7502 164.2770 -1319.1171 -2134.4849 921491.4634 -1319.1171 -2134.4849
ENERGY: 438 19935.1532 20278.6098 5724.6883 179.3848 -336899.4567 23173.5515 0.0000 0.0000 45148.1318 -222459.9373 164.2365 -267608.0691 -222051.5667 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 206.606, 0.45821/step Wall: 206.606, 0.45821/step, 0.00763683 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5681 20036.2370 5729.7526 186.7201 -338123.1791 23276.2483 0.0000 0.0000 44417.5453 -222405.1076 161.5788 -266822.6529 -222059.4770 161.5788 -2408.4609 -2197.9670 921491.4634 -2408.4609 -2197.9670
ENERGY: 441 22355.5483 19860.0405 5730.3487 190.1145 -338361.1698 23313.2042 0.0000 0.0000 44502.6960 -222409.2176 161.8886 -266911.9136 -222050.0857 161.8886 -2716.1024 -2221.5312 921491.4634 -2716.1024 -2221.5312
ENERGY: 442 21853.6114 19664.5343 5729.4854 192.9411 -338090.1516 23327.1565 0.0000 0.0000 44880.6318 -222441.7911 163.2634 -267322.4229 -222049.7753 163.2634 -2710.5573 -2229.0694 921491.4634 -2710.5573 -2229.0694
ENERGY: 443 21064.3313 19487.0715 5727.6164 194.9329 -337369.3136 23320.0155 0.0000 0.0000 45118.1107 -222457.2352 164.1273 -267575.3458 -222048.5993 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3364 19357.2682 5725.4095 195.8735 -336464.1916 23301.5274 0.0000 0.0000 44987.7177 -222447.0590 163.6530 -267434.7767 -222057.9799 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5610 19307.2511 5723.6512 195.6942 -335759.3912 23283.8136 0.0000 0.0000 44708.7156 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9629 -2201.6926 921491.4634 -1846.9629 -2201.6926
ENERGY: 446 19947.6807 19324.9001 5722.5429 194.3235 -335494.5710 23276.0449 0.0000 0.0000 44620.2948 -222408.7841 162.3164 -267029.0788 -222046.1622 162.3164 -1800.7521 -2216.7295 921491.4634 -1800.7521 -2216.7295
ENERGY: 447 19914.2850 19416.0209 5722.2106 191.8642 -335769.4405 23282.7456 0.0000 0.0000 44816.5092 -222425.8052 163.0301 -267242.3143 -222046.8344 163.0301 -1993.3115 -2253.0604 921491.4634 -1993.3115 -2253.0604
ENERGY: 448 20187.5922 19583.6801 5722.5764 188.5554 -336503.1809 23303.8902 0.0000 0.0000 45065.6679 -222451.2187 163.9365 -267516.8866 -222059.3482 163.9365 -2372.1881 -2303.7901 921491.4634 -2372.1881 -2303.7901
ENERGY: 449 20877.4060 19832.6989 5723.5712 184.8596 -337500.9082 23334.5922 0.0000 0.0000 45101.1683 -222446.6121 164.0657 -267547.7804 -222047.7101 164.0657 -2827.1082 -2356.1409 921491.4634 -2827.1082 -2356.1409
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1304 5724.4776 181.0898 -338419.3262 23364.6242 0.0000 0.0000 44854.3103 -222432.2088 163.1677 -267286.5190 -222048.7862 163.1677 -3116.6757 -2394.3898 921491.4634 -3116.6757 -2394.3898
ENERGY: 451 22355.5900 20357.7259 5724.7143 177.6517 -338952.0923 23381.8007 0.0000 0.0000 44542.6995 -222411.9102 162.0341 -266954.6096 -222048.8247 162.0341 -3074.2533 -2405.7800 921491.4634 -3074.2533 -2405.7800
ENERGY: 452 22246.2013 20536.0138 5723.8953 174.8859 -338927.1553 23378.0944 0.0000 0.0000 44452.9205 -222415.1440 161.7075 -266868.0646 -222059.6371 161.7075 -2659.9604 -2384.7568 921491.4634 -2659.9604 -2384.7568
ENERGY: 453 21399.8726 20641.1315 5722.2878 173.1350 -338392.7951 23354.5909 0.0000 0.0000 44683.7042 -222418.0731 162.5470 -267101.7773 -222043.5373 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3384 20654.1377 5720.2217 172.3637 -337567.1433 23320.6904 0.0000 0.0000 45008.1471 -222443.2443 163.7273 -267451.3914 -222041.8392 163.7273 -1453.4581 -2293.1450 921491.4634 -1453.4581 -2293.1450
ENERGY: 455 19486.7912 20584.7123 5718.4844 172.5169 -336790.6470 23290.4027 0.0000 0.0000 45086.5792 -222451.1604 164.0126 -267537.7396 -222040.8571 164.0126 -1151.8827 -2255.8572 921491.4634 -1151.8827 -2255.8572
ENERGY: 456 19493.3726 20440.6802 5717.7555 173.4249 -336350.1090 23274.9635 0.0000 0.0000 44811.4727 -222438.4396 163.0118 -267249.9123 -222055.3487 163.0118 -1305.5007 -2245.5823 921491.4634 -1305.5007 -2245.5823
ENERGY: 457 20047.4931 20251.9435 5718.5580 174.9241 -336395.8175 23277.8279 0.0000 0.0000 44521.8705 -222403.2004 161.9583 -266925.0709 -222049.4134 161.9583 -1906.4167 -2263.5012 921491.4634 -1906.4167 -2263.5012
ENERGY: 458 20585.8435 20019.2722 5720.7060 176.6081 -336835.0965 23294.7178 0.0000 0.0000 44632.7888 -222405.1601 162.3618 -267037.9488 -222051.2824 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 215.761, 0.45775/step Wall: 215.761, 0.45775/step, 0.00508611 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9059 5728.0971 179.4910 -338014.3765 23341.8009 0.0000 0.0000 45423.8560 -222480.6118 165.2395 -267904.4679 -222064.6838 165.2395 -3669.8197 -2365.2410 921491.4634 -3669.8197 -2365.2410
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ENERGY: 462 22264.2253 19487.8102 5736.4822 180.9531 -337988.7167 23351.1095 0.0000 0.0000 44559.9286 -222408.2077 162.0968 -266968.1363 -222056.7216 162.0968 -2954.8195 -2323.4247 921491.4634 -2954.8195 -2323.4247
ENERGY: 463 21821.1789 19513.9009 5738.9361 181.1160 -337284.1027 23326.9488 0.0000 0.0000 44313.4566 -222388.5655 161.2002 -266702.0221 -222054.6245 161.2002 -2012.4421 -2264.0775 921491.4634 -2012.4421 -2264.0775
ENERGY: 464 20535.2460 19559.9268 5739.2518 181.0096 -336389.3844 23291.1953 0.0000 0.0000 44654.0261 -222428.7289 162.4391 -267082.7550 -222058.5733 162.4391 -1050.9227 -2205.5266 921491.4634 -1050.9227 -2205.5266
ENERGY: 465 19322.7829 19631.8852 5737.2898 180.7155 -335701.1542 23259.7403 0.0000 0.0000 45094.5681 -222474.1724 164.0416 -267568.7405 -222052.9392 164.0416 -512.3347 -2174.4006 921491.4634 -512.3347 -2174.4006
ENERGY: 466 19088.4513 19708.3581 5733.2107 180.2808 -335443.7737 23245.0617 0.0000 0.0000 45020.7901 -222467.6211 163.7733 -267488.4112 -222052.9790 163.7733 -630.3315 -2182.6708 921491.4634 -630.3315 -2182.6708
ENERGY: 467 19841.8071 19783.1744 5727.6703 179.7757 -335721.0966 23249.4543 0.0000 0.0000 44523.6661 -222415.5487 161.9649 -266939.2147 -222054.3499 161.9649 -1393.6029 -2232.5922 921491.4634 -1393.6029 -2232.5922
ENERGY: 468 20761.8481 19845.4945 5721.5089 179.2779 -336451.5679 23265.8140 0.0000 0.0000 44291.6583 -222385.9663 161.1209 -266677.6246 -222056.3590 161.1209 -2508.6710 -2314.1336 921491.4634 -2508.6710 -2314.1336
ENERGY: 469 21236.3015 19910.2025 5715.6824 178.8504 -337458.3217 23284.3977 0.0000 0.0000 44720.3201 -222412.5672 162.6802 -267132.8873 -222046.0749 162.6802 -3596.7400 -2405.7968 921491.4634 -3596.7400 -2405.7968
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1730 19972.8939 5710.9491 178.5947 -338383.2525 23297.0688 0.0000 0.0000 45346.4573 -222466.1156 164.9579 -267812.5729 -222047.6088 164.9579 -4259.6989 -2477.6827 921491.4634 -4259.6989 -2477.6827
ENERGY: 471 21732.8677 20054.6840 5707.9626 178.5890 -338913.2471 23297.5101 0.0000 0.0000 45471.3366 -222470.2970 165.4122 -267941.6336 -222047.5359 165.4122 -4290.5677 -2504.3171 921491.4634 -4290.5677 -2504.3171
ENERGY: 472 22081.2359 20161.5557 5707.0091 178.9047 -338870.6791 23279.4508 0.0000 0.0000 45028.5297 -222433.9932 163.8014 -267462.5229 -222059.5061 163.8014 -3659.7356 -2479.9181 921491.4634 -3659.7356 -2479.9181
ENERGY: 473 21866.1362 20289.3432 5707.9843 179.6165 -338307.7218 23240.7381 0.0000 0.0000 44634.5174 -222389.3862 162.3681 -267023.9036 -222043.8542 162.3681 -2556.3613 -2408.1654 921491.4634 -2556.3613 -2408.1654
ENERGY: 474 20842.9707 20372.0992 5710.2160 180.7466 -337438.4581 23189.2366 0.0000 0.0000 44733.2305 -222409.9584 162.7272 -267143.1889 -222041.2622 162.7272 -1295.5523 -2316.2725 921491.4634 -1295.5523 -2316.2725
ENERGY: 475 19674.2085 20371.7679 5712.9876 182.2512 -336604.2342 23142.3836 0.0000 0.0000 45070.2136 -222450.4219 163.9530 -267520.6354 -222039.4533 163.9530 -344.6448 -2232.2122 921491.4634 -344.6448 -2232.2122
ENERGY: 476 19235.7866 20282.0278 5715.7683 184.0125 -336100.0928 23115.8485 0.0000 0.0000 45106.0631 -222460.5860 164.0835 -267566.6491 -222053.6137 164.0835 -92.4047 -2183.0648 921491.4634 -92.4047 -2183.0648
ENERGY: 477 19704.7251 20145.9815 5718.4976 185.9230 -336101.8811 23114.2957 0.0000 0.0000 44812.3208 -222420.1374 163.0149 -267232.4581 -222044.8410 163.0149 -667.4942 -2171.8223 921491.4634 -667.4942 -2171.8223
ENERGY: 478 20493.4775 19974.7637 5721.0254 187.7262 -336537.4053 23131.2478 0.0000 0.0000 44627.0333 -222402.1314 162.3409 -267029.1647 -222047.4106 162.3409 -1807.1598 -2198.7951 921491.4634 -1807.1598 -2198.7951
ENERGY: 479 21125.3056 19793.3953 5723.3295 189.2099 -337215.5850 23156.6789 0.0000 0.0000 44802.1578 -222425.5082 162.9779 -267227.6659 -222050.5459 162.9779 -3089.8508 -2246.7912 921491.4634 -3089.8508 -2246.7912
TIMING: 480 CPU: 224.909, 0.457386/step Wall: 224.909, 0.457386/step, 0.00254103 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0325 19623.1960 5725.3111 190.1901 -337854.6793 23181.5134 0.0000 0.0000 45051.6813 -222458.7550 163.8856 -267510.4363 -222064.6209 163.8856 -4077.7318 -2291.4886 921491.4634 -4077.7318 -2291.4886
ENERGY: 481 22092.4851 19510.0428 5727.0952 190.6351 -338199.2486 23196.7975 0.0000 0.0000 45041.3366 -222440.8563 163.8480 -267482.1929 -222052.5265 163.8480 -4466.2386 -2305.6727 921491.4634 -4466.2386 -2305.6727
ENERGY: 482 22186.3465 19466.6790 5728.4964 190.3598 -338044.5424 23192.7490 0.0000 0.0000 44865.8517 -222414.0600 163.2096 -267279.9118 -222051.4112 163.2096 -4059.3091 -2278.0609 921491.4634 -4059.3091 -2278.0609
ENERGY: 483 21553.1413 19511.5742 5729.5660 189.3227 -337426.2192 23165.8755 0.0000 0.0000 44861.8965 -222414.8429 163.1952 -267276.7395 -222048.7672 163.1952 -2964.1718 -2216.4111 921491.4634 -2964.1718 -2216.4111
ENERGY: 484 20460.8929 19631.1938 5730.2465 187.5455 -336590.8896 23126.1366 0.0000 0.0000 45003.6024 -222451.2720 163.7107 -267454.8744 -222059.8745 163.7107 -1565.2424 -2143.1847 921491.4634 -1565.2424 -2143.1847
ENERGY: 485 19688.7726 19800.2992 5730.5256 185.2458 -335902.5879 23092.8484 0.0000 0.0000 44955.5715 -222449.3248 163.5360 -267404.8963 -222045.9609 163.5360 -422.1570 -2086.8733 921491.4634 -422.1570 -2086.8733
ENERGY: 486 19602.5431 19954.8177 5729.7198 182.4662 -335612.3579 23080.3820 0.0000 0.0000 44645.9107 -222416.5184 162.4096 -267062.4291 -222044.6763 162.4096 87.3180 -2070.0980 921491.4634 87.3180 -2070.0980
ENERGY: 487 19881.0927 20072.0214 5727.4348 179.4360 -335846.4491 23091.0555 0.0000 0.0000 44503.3486 -222392.0602 161.8910 -266895.4088 -222045.2410 161.8910 -192.2345 -2106.8839 921491.4634 -192.2345 -2106.8839
ENERGY: 488 20125.2097 20156.1362 5723.5441 176.4338 -336552.5456 23118.8626 0.0000 0.0000 44827.0551 -222425.3040 163.0685 -267252.3592 -222057.1938 163.0685 -1145.7529 -2194.6676 921491.4634 -1145.7529 -2194.6676
ENERGY: 489 20526.8869 20236.4609 5718.5749 173.8639 -337540.4657 23156.7319 0.0000 0.0000 45266.0999 -222461.8472 164.6656 -267727.9471 -222045.6085 164.6656 -2511.2398 -2316.7063 921491.4634 -2511.2398 -2316.7063
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 20292.9023 5712.8912 171.8438 -338458.1362 23196.4886 0.0000 0.0000 45213.5624 -222459.6992 164.4745 -267673.2616 -222048.2207 164.4745 -3823.4032 -2437.4151 921491.4634 -3823.4032 -2437.4151
ENERGY: 491 22430.4636 20312.1363 5707.3795 170.5404 -338984.5795 23226.0945 0.0000 0.0000 44733.0085 -222404.9567 162.7264 -267137.9652 -222049.4637 162.7264 -4629.6928 -2524.6212 921491.4634 -4629.6928 -2524.6212
ENERGY: 492 22612.9543 20289.6815 5702.9944 170.0208 -338937.5820 23232.7212 0.0000 0.0000 44542.1947 -222387.0150 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8520 -2557.4727 921491.4634 -4606.8520 -2557.4727
ENERGY: 493 21558.2186 20260.7380 5700.7779 170.3201 -338358.0640 23214.0543 0.0000 0.0000 45033.8226 -222420.1326 163.8207 -267453.9551 -222046.5900 163.8207 -3796.3817 -2540.0994 921491.4634 -3796.3817 -2540.0994
ENERGY: 494 20068.3369 20225.0268 5700.9806 171.2193 -337454.3844 23183.0801 0.0000 0.0000 45622.2470 -222483.4939 165.9612 -268105.7408 -222044.0867 165.9612 -2500.8993 -2482.1067 921491.4634 -2500.8993 -2482.1067
ENERGY: 495 19383.2468 20186.8307 5703.5926 172.5416 -336566.9897 23159.4630 0.0000 0.0000 45484.1225 -222477.1924 165.4587 -267961.3150 -222041.5563 165.4587 -1249.6839 -2407.3055 921491.4634 -1249.6839 -2407.3055
ENERGY: 496 19722.4837 20130.6477 5708.0350 174.0933 -335998.7165 23154.2640 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1928 -222049.0670 162.6046 -478.8998 -2343.4749 921491.4634 -478.8998 -2343.4749
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5049 23166.3549 0.0000 0.0000 44261.0291 -222363.3510 161.0095 -266624.3801 -222042.7500 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0162 19957.1214 5718.5596 177.2604 -336366.4938 23189.3588 0.0000 0.0000 44728.2540 -222413.9233 162.7091 -267142.1773 -222044.5220 162.7091 -993.4676 -2331.6471 921491.4634 -993.4676 -2331.6471
ENERGY: 499 20158.0676 19847.7304 5722.4089 178.6361 -337058.4827 23219.2407 0.0000 0.0000 45439.2650 -222493.1339 165.2956 -267932.3989 -222047.2062 165.2956 -2020.8684 -2376.3389 921491.4634 -2020.8684 -2376.3389
Info: Benchmark time: 4 CPUs 0.457101 s/step 5.29053 days/ns 3224.1 MB memory
TIMING: 500 CPU: 233.978, 0.453471/step Wall: 233.978, 0.453471/step, 0 hours remaining, 3224.097656 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 20974.8936 19756.6579 5724.4523 179.8271 -337741.4196 23251.1011 0.0000 0.0000 45359.0784 -222495.4093 165.0039 -267854.4877 -222061.0911 165.0039 -3197.5164 -2425.4141 921491.4634 -3197.5164 -2425.4141
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, 3229.547 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.547 MB of memory in use
====================================================
WallClock: 240.809814 CPUTime: 240.809814 Memory: 3229.546875 MB
[Partition 0][Node 0] End of program
Application 109643875 resources: utime ~947s, stime ~18s, Rss ~127280, inblocks ~67175, outblocks ~72238
Displaying status file:
verified
WALL=240.809814
CPU=240.809814
MEM=3229.546875
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins17615450080340423364.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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