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 ============== 54.2367
LDB: Largest compute 200 load 0.429880 is 1.2% of average load 36.770557
LDB: Average compute 0.051513 is 0.1% of average load 36.770557
LDB: Partitioning computes with target load 3.677056
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055424
LDB: ============== END OF LOAD BALANCING =============== 54.2388
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2396
Info: Initial time: 4 CPUs 0.473249 s/step 5.47742 days/ns 3221.51 MB memory
TIMING: 100 CPU: 48.2958, 0.472292/step Wall: 48.2958, 0.472292/step, 0.0524769 hours remaining, 3221.511719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.6655
LDB: ============== END OF LOAD BALANCING =============== 63.6656
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.666
TIMING: 120 CPU: 57.7191, 0.471161/step Wall: 57.7191, 0.471161/step, 0.0497337 hours remaining, 3221.679688 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
ENERGY: 130 21553.6086 18898.7761 5736.4508 185.0194 -334776.0134 21118.0423 0.0000 0.0000 44811.1497 -222472.9665 163.0106 -267284.1162 -222216.5362 163.0106 -5536.0554 -2842.3154 921491.4634 -5536.0554 -2842.3154
ENERGY: 131 21530.9955 19804.6627 5745.0872 187.0957 -335083.2641 21105.7069 0.0000 0.0000 44221.5103 -222488.2057 160.8657 -266709.7160 -222215.1802 160.8657 -5164.7862 -2872.9597 921491.4634 -5164.7862 -2872.9597
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ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5716 -222331.6170 150.4075 -263678.1886 -222209.0241 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7489 21006.3295 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3959 -222211.0694 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3363 21115.6333 0.0000 0.0000 43705.6789 -222391.1636 158.9892 -266096.8425 -222217.3489 158.9892 -4443.4108 -3015.1529 921491.4634 -4443.4108 -3015.1529
TIMING: 140 CPU: 67.1407, 0.471079/step Wall: 67.1407, 0.471079/step, 0.0471079 hours remaining, 3221.812500 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: 140 20992.5976 17997.1578 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2514 -222551.1431 164.2224 -267695.3945 -222224.0360 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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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: 76.5529, 0.470611/step Wall: 76.5529, 0.470611/step, 0.0444466 hours remaining, 3222.160156 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 18508.1493 5697.2826 183.0024 -333202.6494 20887.8857 0.0000 0.0000 43070.6067 -222342.9102 156.6790 -265413.5168 -222161.4904 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8222 20884.6196 0.0000 0.0000 43005.6961 -222309.0502 156.4429 -265314.7463 -222160.7799 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4924 20963.4339 0.0000 0.0000 42492.3350 -222325.8214 154.5754 -264818.1564 -222149.7705 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4664 20870.4069 5789.9166 204.9287 -334596.5068 20994.5723 0.0000 0.0000 43600.1910 -222488.0249 158.6055 -266088.2160 -222133.5313 158.6055 -2095.8775 -2988.7947 921491.4634 -2095.8775 -2988.7947
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: 176 19195.1039 18891.7630 5743.5896 160.0071 -332124.2129 20943.2096 0.0000 0.0000 44722.5122 -222468.0275 162.6882 -267190.5397 -222127.3367 162.6882 -2658.3222 -2727.5044 921491.4634 -2658.3222 -2727.5044
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ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1546 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9499, 0.469852/step Wall: 85.9499, 0.469852/step, 0.0417646 hours remaining, 3222.160156 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 18376.8756 19424.9915 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5529 -222572.3089 163.2631 -267452.8617 -222144.6140 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5888 -222435.3689 161.4844 -266826.9578 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4302 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8537 -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 21700.3671 19122.7581 5714.1451 184.7200 -332668.2729 21129.4588 0.0000 0.0000 42574.3654 -222242.4584 154.8738 -264816.8239 -222086.7177 154.8738 -3040.7437 -2596.5493 921491.4634 -3040.7437 -2596.5493
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4995 21161.1534 0.0000 0.0000 43911.2864 -222391.0318 159.7372 -266302.3181 -222090.4389 159.7372 -4381.6807 -2646.7678 921491.4634 -4381.6807 -2646.7678
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LDB: ============= START OF LOAD BALANCING ============== 101.295
LDB: Largest compute 200 load 0.424514 is 1.2% of average load 36.595565
LDB: Average compute 0.051261 is 0.1% of average load 36.595565
LDB: TIME 101.297 LOAD: AVG 36.5956 MAX 37.6292 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.52 MB
LDB: TIME 101.299 LOAD: AVG 36.5956 MAX 37.4692 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.52 MB
LDB: ============== END OF LOAD BALANCING =============== 101.301
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.304
Info: Initial time: 4 CPUs 0.470494 s/step 5.44553 days/ns 3223.61 MB memory
TIMING: 200 CPU: 95.355, 0.470256/step Wall: 95.355, 0.470256/step, 0.039188 hours remaining, 3223.605469 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 18595.6350 5711.8747 190.0258 -334670.2808 21209.9247 0.0000 0.0000 45319.1601 -222569.9770 164.8586 -267889.1371 -222114.5243 164.8586 -5241.8524 -2703.6812 921491.4634 -5241.8524 -2703.6812
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4189 -334751.7128 21239.1340 0.0000 0.0000 43222.4694 -222327.9740 157.2315 -265550.4435 -222100.1077 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3004 21243.2752 0.0000 0.0000 42432.5587 -222241.0645 154.3580 -264673.6232 -222096.8289 154.3580 -3005.0517 -2588.0013 921491.4634 -3005.0517 -2588.0013
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6986 -222431.1632 160.2771 -266490.8618 -222093.6425 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2199 21188.8403 0.0000 0.0000 45629.4720 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2550 21197.9186 0.0000 0.0000 44690.7149 -222526.2116 162.5725 -267216.9265 -222099.8060 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
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ENERGY: 207 21693.8033 20338.2889 5726.5434 185.3060 -333603.9790 21289.9001 0.0000 0.0000 42143.6913 -222226.4458 153.3072 -264370.1371 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2375 21322.2410 0.0000 0.0000 44428.6270 -222472.1865 161.6191 -266900.8135 -222122.6313 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8169 20325.0058 5710.3389 180.5135 -335910.2411 21349.5044 0.0000 0.0000 46273.6802 -222642.3815 168.3309 -268916.0617 -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 20194.2568 5705.3139 178.4614 -336615.7766 21385.1096 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4616 -222108.2015 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0296 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7807 -222504.4446 165.2210 -267923.2253 -222097.3833 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4704 -222681.1884 170.8220 -269639.6588 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9744 5746.5773 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6747 -222527.8915 164.7987 -267830.5662 -222091.0446 164.7987 784.0014 -2554.0367 921491.4634 784.0014 -2554.0367
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4821 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0681 152.7251 -264208.7432 -222064.4463 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6837 -222478.5359 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.759, 0.470188/step Wall: 104.759, 0.470188/step, 0.0365701 hours remaining, 3223.605469 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 19404.0885 5740.6977 175.0128 -333964.3152 21778.9044 0.0000 0.0000 44901.2439 -222544.9268 163.3384 -267446.1708 -222065.9776 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
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TIMING: 240 CPU: 114.154, 0.469747/step Wall: 114.154, 0.469747/step, 0.0339262 hours remaining, 3223.605469 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 22861.0420 20119.9135 5760.6910 171.4213 -335766.3624 21854.4253 0.0000 0.0000 42641.4777 -222357.3916 155.1180 -264998.8693 -222074.0950 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
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ENERGY: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8721 -222396.7192 158.3388 -265923.5913 -222063.5733 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6445 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0692 -222575.9242 165.6513 -268112.9934 -222061.6671 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6007 21720.5676 0.0000 0.0000 45629.1664 -222554.1190 165.9864 -268183.2854 -222078.7767 165.9864 -2667.7299 -2573.2149 921491.4634 -2667.7299 -2573.2149
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5249 -222360.5913 160.6730 -266529.1162 -222068.6362 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4183 -222284.3174 158.6063 -265884.7357 -222067.4292 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1839 21719.8455 0.0000 0.0000 44912.1914 -222431.6933 163.3782 -267343.8847 -222068.1390 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4923 20164.4296 5713.8450 181.3144 -335623.1350 21746.4311 0.0000 0.0000 46185.9364 -222595.6862 168.0117 -268781.6226 -222090.3124 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -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 21994.9041 20013.1600 5733.2541 193.8023 -336093.2675 21826.9295 0.0000 0.0000 43905.3721 -222425.8454 159.7157 -266331.2175 -222091.3303 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8636 19667.1123 5729.5496 195.2411 -334977.1805 21784.0537 0.0000 0.0000 45520.0193 -222581.3410 165.5893 -268101.3603 -222082.7203 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0881 19348.2297 5720.5008 195.9622 -333839.8797 21752.6524 0.0000 0.0000 45220.9196 -222528.5269 164.5013 -267749.4465 -222080.4684 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2312 19109.4103 5707.6062 196.0620 -333099.9232 21746.1515 0.0000 0.0000 43667.4211 -222349.0408 158.8501 -266016.4619 -222078.3973 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4048 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5469 -222428.4889 161.8371 -266917.0358 -222060.1682 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0340 -222062.0606 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.538, 0.469237/step Wall: 123.538, 0.469237/step, 0.0312825 hours remaining, 3223.910156 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 22744.9543 19188.2462 5675.1875 191.0393 -336169.7727 21924.7893 0.0000 0.0000 44083.4306 -222362.1254 160.3634 -266445.5560 -222069.6810 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2723 19814.6777 5694.0656 188.7122 -336291.7857 21947.6074 0.0000 0.0000 44601.6348 -222438.8158 162.2485 -267040.4506 -222052.4321 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1227 20140.5622 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7773 -222527.2802 164.9700 -267877.0575 -222051.1545 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4785 -222476.8386 162.7936 -267228.3171 -222069.1981 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6241 187.4393 -334395.6631 21906.0163 0.0000 0.0000 43607.6375 -222352.1118 158.6326 -265959.7493 -222054.3369 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3798 -222348.1910 157.8750 -265747.5708 -222054.3632 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2171 -222446.1643 160.8610 -266666.3814 -222055.6582 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5380 -222504.2923 163.0557 -267327.8302 -222075.9873 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -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 22620.1934 19450.9168 5690.3173 187.1618 -336650.6776 22028.8070 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5824 19078.8066 5690.0209 186.1610 -336571.7894 22035.2501 0.0000 0.0000 44829.4474 -222406.5210 163.0772 -267235.9684 -222066.8384 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0663 5692.8269 184.9335 -335921.4616 22015.0580 0.0000 0.0000 45607.7078 -222503.3108 165.9083 -268111.0186 -222081.1570 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2135 18932.9081 5697.5118 183.8526 -334925.7013 21985.5296 0.0000 0.0000 45502.7163 -222499.9693 165.5264 -268002.6856 -222069.0457 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 275 20005.4318 19374.0681 5703.3424 182.5376 -333318.5603 21960.8299 0.0000 0.0000 43741.9682 -222350.3822 159.1213 -266092.3504 -222065.7690 159.1213 -1269.7930 -2374.8868 921491.4634 -1269.7930 -2374.8868
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1278 21971.0410 0.0000 0.0000 44028.5271 -222412.2136 160.1637 -266440.7407 -222072.9391 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3449 21997.2387 0.0000 0.0000 44632.8112 -222481.8214 162.3619 -267114.6325 -222061.0984 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4575 19713.7759 5686.9122 183.6585 -334821.0999 22041.3359 0.0000 0.0000 44532.2540 -222463.7057 161.9961 -266995.9598 -222063.4127 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3649 19593.9430 5677.5176 184.5187 -335888.5796 22096.4200 0.0000 0.0000 43975.0879 -222376.7275 159.9693 -266351.8154 -222065.2020 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 132.911, 0.468634/step Wall: 132.911, 0.468634/step, 0.0286388 hours remaining, 3223.910156 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: 280 22859.3231 19458.4366 5670.0026 185.3899 -336752.6629 22145.1355 0.0000 0.0000 44066.7336 -222367.6416 160.3027 -266434.3752 -222073.4244 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
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ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5030 22176.7655 0.0000 0.0000 45823.3369 -222526.2575 166.6927 -268349.5943 -222063.3313 166.6927 -2992.3271 -2779.3667 921491.4634 -2992.3271 -2779.3667
ENERGY: 283 20432.1059 19966.6614 5678.8137 187.1634 -336251.9197 22171.0649 0.0000 0.0000 45328.8519 -222487.2584 164.8939 -267816.1103 -222060.8457 164.8939 -2008.7736 -2748.2305 921491.4634 -2008.7736 -2748.2305
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1961 22167.0167 0.0000 0.0000 43418.2628 -222354.5542 157.9437 -265772.8169 -222053.5963 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8230 -334658.1144 22176.6864 0.0000 0.0000 43785.6879 -222425.2209 159.2803 -266210.9088 -222054.0579 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1476 22200.2911 0.0000 0.0000 44282.9436 -222485.6056 161.0892 -266768.5492 -222055.7250 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2087 20475.2852 5736.9557 182.7335 -335468.3146 22237.9039 0.0000 0.0000 44116.9903 -222455.2373 160.4855 -266572.2277 -222066.9051 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 ============== 148.252
LDB: Largest compute 200 load 0.520155 is 1.1% of average load 45.729402
LDB: Average compute 0.064059 is 0.1% of average load 45.729402
LDB: TIME 148.254 LOAD: AVG 45.7294 MAX 46.9435 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 148.255 LOAD: AVG 45.7294 MAX 46.9435 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 148.269 LOAD: AVG 45.7294 MAX 46.2348 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 148.27
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.271
Info: Initial time: 4 CPUs 0.469157 s/step 5.43006 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.29, 0.46894/step Wall: 142.29, 0.46894/step, 0.0260522 hours remaining, 3224.265625 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: 151.502, 0.460583/step Wall: 151.502, 0.460583/step, 0.0230292 hours remaining, 3224.265625 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: 160.707, 0.460285/step Wall: 160.707, 0.460285/step, 0.0204571 hours remaining, 3224.265625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 169.904, 0.459852/step Wall: 169.904, 0.459852/step, 0.0178831 hours remaining, 3224.265625 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: 365 18830.5838 19548.3420 5710.7558 180.6856 -335316.0961 22775.7829 0.0000 0.0000 45760.0891 -222509.8569 166.4626 -268269.9460 -222057.4394 166.4626 -1100.2602 -2433.4821 921491.4634 -1100.2602 -2433.4821
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ENERGY: 368 20561.5940 19748.2119 5739.6691 179.8275 -335728.0873 22808.6651 0.0000 0.0000 44272.8410 -222417.2788 161.0524 -266690.1198 -222068.2907 161.0524 -2928.4887 -2487.3070 921491.4634 -2928.4887 -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
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ENERGY: 376 19884.0272 19962.1760 5703.2010 181.1433 -335321.8627 22772.8697 0.0000 0.0000 44434.3283 -222384.1172 161.6399 -266818.4455 -222050.5526 161.6399 -874.6220 -2439.6903 921491.4634 -874.6220 -2439.6903
ENERGY: 377 20646.4609 20251.1589 5706.5521 182.3248 -335763.5797 22794.3770 0.0000 0.0000 43848.2761 -222334.4299 159.5080 -266182.7060 -222041.4009 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8101 20495.6592 5711.4639 183.2952 -336584.2276 22821.5833 0.0000 0.0000 44474.7543 -222423.6617 161.7869 -266898.4160 -222044.3963 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.1, 0.45978/step Wall: 179.1, 0.45978/step, 0.015326 hours remaining, 3224.265625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 383 21263.6993 19910.9245 5714.6670 180.7420 -337128.0224 22911.2840 0.0000 0.0000 44707.9449 -222438.7607 162.6352 -267146.7056 -222048.1876 162.6352 -2023.0803 -2294.0133 921491.4634 -2023.0803 -2294.0133
ENERGY: 384 19625.4113 19596.0353 5710.5349 179.0647 -336052.0484 22884.2528 0.0000 0.0000 45539.1838 -222517.5656 165.6590 -268056.7494 -222062.0924 165.6590 -569.2380 -2166.9360 921491.4634 -569.2380 -2166.9360
ENERGY: 385 19327.8181 19356.8911 5707.7751 177.4354 -335210.6398 22871.6138 0.0000 0.0000 45299.7175 -222469.3888 164.7879 -267769.1063 -222051.0991 164.7879 215.3514 -2064.3638 921491.4634 215.3514 -2064.3638
ENERGY: 386 19981.2274 19220.9465 5707.6637 175.9385 -334865.1814 22880.7952 0.0000 0.0000 44519.8589 -222378.7514 161.9510 -266898.6103 -222051.0436 161.9510 122.6669 -2011.2430 921491.4634 122.6669 -2011.2430
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8723 22905.2738 0.0000 0.0000 44377.1818 -222372.0347 161.4320 -266749.2165 -222053.0048 161.4320 -738.9586 -2019.1691 921491.4634 -738.9586 -2019.1691
ENERGY: 388 20282.3988 19280.0168 5717.2934 173.7038 -335824.1513 22938.2895 0.0000 0.0000 44972.7763 -222459.6727 163.5986 -267432.4490 -222067.4814 163.5986 -2063.8555 -2076.2822 921491.4634 -2063.8555 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8116 20133.3593 5716.9813 176.0456 -336812.3374 23014.0581 0.0000 0.0000 45592.7323 -222486.3492 165.8538 -268079.0816 -222045.7218 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.275
LDB: Largest compute 230 load 0.520764 is 1.1% of average load 45.635302
LDB: Average compute 0.063904 is 0.1% of average load 45.635302
LDB: TIME 194.277 LOAD: AVG 45.6353 MAX 46.0042 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 194.278 LOAD: AVG 45.6353 MAX 46.0042 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 194.278 LOAD: AVG 45.6353 MAX 46.0042 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 194.278
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.279
Info: Benchmark time: 4 CPUs 0.460004 s/step 5.32412 days/ns 3224.27 MB memory
TIMING: 400 CPU: 188.294, 0.459722/step Wall: 188.294, 0.459722/step, 0.0127701 hours remaining, 3224.265625 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 22444.0479 19835.9108 5715.8942 173.8391 -338107.6281 23109.6374 0.0000 0.0000 44436.8101 -222391.4887 161.6489 -266828.2988 -222049.2223 161.6489 -4939.3796 -2681.7026 921491.4634 -4939.3796 -2681.7026
ENERGY: 403 20784.9694 19778.4827 5715.7217 174.2695 -337239.9778 23077.8398 0.0000 0.0000 45225.5966 -222483.0981 164.5183 -267708.6947 -222046.6851 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
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ENERGY: 408 19735.8471 19387.6643 5692.2151 187.5226 -335902.8212 23017.8170 0.0000 0.0000 45394.4122 -222487.3428 165.1324 -267881.7551 -222063.5308 165.1324 -920.8283 -2294.1557 921491.4634 -920.8283 -2294.1557
ENERGY: 409 20350.1189 19376.4606 5688.4774 191.1593 -336896.6840 23057.9919 0.0000 0.0000 45733.6059 -222498.8700 166.3663 -268232.4759 -222051.6701 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1417 20138.5247 5699.9333 199.7191 -337872.5313 23125.1113 0.0000 0.0000 45113.2145 -222465.8867 164.1095 -267579.1012 -222055.3451 164.1095 -3850.6269 -2398.9550 921491.4634 -3850.6269 -2398.9550
ENERGY: 414 19987.3857 20381.5505 5705.1134 199.5118 -337122.7792 23094.4554 0.0000 0.0000 45271.6529 -222483.1095 164.6858 -267754.7623 -222052.1621 164.6858 -2501.3241 -2333.9465 921491.4634 -2501.3241 -2333.9465
ENERGY: 415 19745.2668 20572.1258 5708.7451 198.1487 -336456.1968 23071.1988 0.0000 0.0000 44733.2273 -222427.4842 162.7272 -267160.7115 -222049.0343 162.7272 -1174.6452 -2266.5616 921491.4634 -1174.6452 -2266.5616
ENERGY: 416 19942.3171 20661.9896 5710.0856 195.6954 -336157.5857 23063.1712 0.0000 0.0000 44200.2850 -222384.0418 160.7885 -266584.3268 -222052.9641 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3209 5709.0493 192.4696 -336373.1071 23072.1095 0.0000 0.0000 44338.4620 -222398.3207 161.2911 -266736.7827 -222044.6990 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6649 20457.0909 5705.5847 188.6537 -336970.7863 23098.6723 0.0000 0.0000 44915.1425 -222450.9776 163.3889 -267366.1200 -222046.7090 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7633 20185.5522 5700.4810 184.6055 -337717.8753 23139.8020 0.0000 0.0000 45250.3103 -222466.3610 164.6082 -267716.6714 -222049.5947 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 197.461, 0.458342/step Wall: 197.461, 0.458342/step, 0.0101854 hours remaining, 3224.265625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 428 20140.4230 19760.4170 5710.4628 168.5259 -336199.9848 23087.7672 0.0000 0.0000 44884.2599 -222448.1292 163.2766 -267332.3890 -222058.0544 163.2766 -935.5734 -2206.9585 921491.4634 -935.5734 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3704 20188.6721 5710.3546 168.1086 -338651.2093 23176.0839 0.0000 0.0000 45177.9913 -222461.6284 164.3451 -267639.6197 -222065.9057 164.3451 -3350.2744 -2296.1500 921491.4634 -3350.2744 -2296.1500
ENERGY: 433 21200.9072 20275.9661 5710.3763 168.4633 -338164.0628 23162.2904 0.0000 0.0000 45192.9286 -222453.1309 164.3995 -267646.0595 -222052.5980 164.3995 -3187.3735 -2272.1279 921491.4634 -3187.3735 -2272.1279
ENERGY: 434 20730.3413 20338.1498 5711.6060 169.3247 -337394.2694 23140.7728 0.0000 0.0000 44883.0997 -222420.9750 163.2724 -267304.0747 -222051.1461 163.2724 -2694.3109 -2227.7888 921491.4634 -2694.3109 -2227.7888
ENERGY: 435 20235.2202 20362.4014 5714.0003 170.8455 -336680.6544 23123.4090 0.0000 0.0000 44675.9839 -222398.7943 162.5190 -267074.7781 -222049.5887 162.5190 -2061.3584 -2179.8954 921491.4634 -2061.3584 -2179.8954
ENERGY: 436 19670.9242 20349.9980 5717.2345 173.0864 -336303.8797 23119.9070 0.0000 0.0000 44847.0984 -222425.6312 163.1414 -267272.7296 -222059.6954 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5091 5720.9893 175.9827 -336411.9771 23136.3860 0.0000 0.0000 45159.2690 -222455.2896 164.2770 -267614.5585 -222050.7498 164.2770 -1319.1170 -2134.4849 921491.4634 -1319.1170 -2134.4849
ENERGY: 438 19935.1532 20278.6093 5724.6883 179.3848 -336899.4564 23173.5511 0.0000 0.0000 45148.1328 -222459.9368 164.2365 -267608.0697 -222051.5663 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 206.618, 0.457851/step Wall: 206.618, 0.457851/step, 0.00763085 hours remaining, 3224.265625 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 22071.5685 20036.2368 5729.7526 186.7201 -338123.1796 23276.2478 0.0000 0.0000 44417.5465 -222405.1072 161.5788 -266822.6537 -222059.4766 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5487 19860.0406 5730.3487 190.1145 -338361.1706 23313.2037 0.0000 0.0000 44502.6971 -222409.2172 161.8886 -266911.9143 -222050.0853 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6118 19664.5348 5729.4854 192.9411 -338090.1525 23327.1560 0.0000 0.0000 44880.6327 -222441.7906 163.2634 -267322.4233 -222049.7748 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3316 19487.0722 5727.6164 194.9329 -337369.3142 23320.0151 0.0000 0.0000 45118.1113 -222457.2347 164.1273 -267575.3460 -222048.5989 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3364 19357.2690 5725.4095 195.8734 -336464.1916 23301.5269 0.0000 0.0000 44987.7181 -222447.0582 163.6530 -267434.7764 -222057.9792 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5609 19307.2518 5723.6513 195.6942 -335759.3908 23283.8132 0.0000 0.0000 44708.7158 -222414.7036 162.6380 -267123.4194 -222046.5422 162.6380 -1846.9627 -2201.6926 921491.4634 -1846.9627 -2201.6926
ENERGY: 446 19947.6804 19324.9005 5722.5430 194.3235 -335494.5702 23276.0445 0.0000 0.0000 44620.2950 -222408.7833 162.3164 -267029.0783 -222046.1615 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8641 -335769.4393 23282.7452 0.0000 0.0000 44816.5093 -222425.8044 163.0301 -267242.3137 -222046.8337 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1794 23303.8899 0.0000 0.0000 45065.6678 -222451.2180 163.9365 -267516.8858 -222059.3475 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
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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 21754.4855 20108.1297 5724.4776 181.0897 -338419.3242 23364.6239 0.0000 0.0000 44854.3096 -222432.2081 163.1677 -267286.5176 -222048.7855 163.1677 -3116.6758 -2394.3896 921491.4634 -3116.6758 -2394.3896
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ENERGY: 452 22246.2014 20536.0134 5723.8953 174.8859 -338927.1527 23378.0942 0.0000 0.0000 44452.9191 -222415.1434 161.7075 -266868.0625 -222059.6364 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8725 20641.1312 5722.2879 173.1350 -338392.7922 23354.5907 0.0000 0.0000 44683.7026 -222418.0724 162.5470 -267101.7749 -222043.5365 162.5470 -2048.3337 -2342.4667 921491.4634 -2048.3337 -2342.4667
ENERGY: 454 20248.3380 20654.1375 5720.2218 172.3637 -337567.1401 23320.6901 0.0000 0.0000 45008.1455 -222443.2435 163.7273 -267451.3890 -222041.8385 163.7273 -1453.4577 -2293.1449 921491.4634 -1453.4577 -2293.1449
ENERGY: 455 19486.7905 20584.7120 5718.4844 172.5169 -336790.6438 23290.4024 0.0000 0.0000 45086.5778 -222451.1597 164.0126 -267537.7375 -222040.8564 164.0126 -1151.8821 -2255.8570 921491.4634 -1151.8821 -2255.8570
ENERGY: 456 19493.3719 20440.6799 5717.7556 173.4248 -336350.1062 23274.9632 0.0000 0.0000 44811.4717 -222438.4390 163.0118 -267249.9107 -222055.3481 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4926 20251.9432 5718.5580 174.9241 -336395.8152 23277.8276 0.0000 0.0000 44521.8699 -222403.1997 161.9583 -266925.0697 -222049.4127 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8433 20019.2720 5720.7061 176.6081 -336835.0948 23294.7174 0.0000 0.0000 44632.7885 -222405.1594 162.3618 -267037.9479 -222051.2817 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 215.765, 0.457347/step Wall: 215.765, 0.457347/step, 0.00508163 hours remaining, 3224.265625 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 22264.2256 19487.8110 5736.4823 180.9531 -337988.7168 23351.1088 0.0000 0.0000 44559.9292 -222408.2067 162.0968 -266968.1360 -222056.7207 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1792 19513.9018 5738.9361 181.1160 -337284.1028 23326.9480 0.0000 0.0000 44313.4572 -222388.5645 161.2002 -266702.0217 -222054.6235 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2460 19559.9275 5739.2519 181.0096 -336389.3844 23291.1945 0.0000 0.0000 44654.0269 -222428.7281 162.4391 -267082.7550 -222058.5725 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7827 19631.8856 5737.2899 180.7155 -335701.1539 23259.7394 0.0000 0.0000 45094.5691 -222474.1716 164.0416 -267568.7408 -222052.9384 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4510 19708.3582 5733.2107 180.2808 -335443.7732 23245.0607 0.0000 0.0000 45020.7914 -222467.6203 163.7733 -267488.4117 -222052.9782 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0958 23249.4533 0.0000 0.0000 44523.6673 -222415.5479 161.9649 -266939.2152 -222054.3491 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8483 19845.4941 5721.5090 179.2779 -336451.5674 23265.8128 0.0000 0.0000 44291.6593 -222385.9660 161.1209 -266677.6253 -222056.3588 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3019 19910.2020 5715.6824 178.8504 -337458.3210 23284.3965 0.0000 0.0000 44720.3208 -222412.5670 162.6802 -267132.8878 -222046.0748 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8933 5710.9491 178.5947 -338383.2515 23297.0676 0.0000 0.0000 45346.4580 -222466.1154 164.9580 -267812.5734 -222047.6086 164.9580 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8680 20054.6834 5707.9626 178.5890 -338913.2457 23297.5088 0.0000 0.0000 45471.3371 -222470.2968 165.4122 -267941.6339 -222047.5357 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2362 20161.5550 5707.0091 178.9047 -338870.6768 23279.4495 0.0000 0.0000 45028.5299 -222433.9925 163.8014 -267462.5223 -222059.5053 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1364 20289.3424 5707.9843 179.6165 -338307.7189 23240.7367 0.0000 0.0000 44634.5173 -222389.3854 162.3681 -267023.9027 -222043.8535 162.3681 -2556.3615 -2408.1657 921491.4634 -2556.3615 -2408.1657
ENERGY: 474 20842.9706 20372.0982 5710.2160 180.7466 -337438.4548 23189.2352 0.0000 0.0000 44733.2305 -222409.9577 162.7272 -267143.1881 -222041.2615 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2081 20371.7669 5712.9876 182.2512 -336604.2307 23142.3821 0.0000 0.0000 45070.2138 -222450.4212 163.9531 -267520.6349 -222039.4525 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7861 20282.0268 5715.7683 184.0125 -336100.0895 23115.8470 0.0000 0.0000 45106.0634 -222460.5855 164.0835 -267566.6489 -222053.6131 164.0835 -92.4047 -2183.0652 921491.4634 -92.4047 -2183.0652
ENERGY: 477 19704.7250 20145.9807 5718.4976 185.9230 -336101.8782 23114.2943 0.0000 0.0000 44812.3208 -222420.1368 163.0149 -267232.4577 -222044.8405 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4779 19974.7633 5721.0254 187.7262 -336537.4029 23131.2463 0.0000 0.0000 44627.0330 -222402.1308 162.3409 -267029.1638 -222047.4100 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3062 19793.3953 5723.3295 189.2098 -337215.5832 23156.6775 0.0000 0.0000 44802.1573 -222425.5076 162.9779 -267227.6649 -222050.5453 162.9779 -3089.8516 -2246.7917 921491.4634 -3089.8516 -2246.7917
TIMING: 480 CPU: 224.905, 0.456992/step Wall: 224.905, 0.456992/step, 0.00253885 hours remaining, 3224.265625 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 21624.0330 19623.1963 5725.3111 190.1900 -337854.6780 23181.5121 0.0000 0.0000 45051.6810 -222458.7546 163.8856 -267510.4355 -222064.6205 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
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ENERGY: 482 22186.3468 19466.6797 5728.4963 190.3598 -338044.5413 23192.7477 0.0000 0.0000 44865.8515 -222414.0596 163.2096 -267279.9111 -222051.4108 163.2096 -4059.3099 -2278.0615 921491.4634 -4059.3099 -2278.0615
ENERGY: 483 21553.1415 19511.5748 5729.5660 189.3226 -337426.2180 23165.8743 0.0000 0.0000 44861.8963 -222414.8425 163.1952 -267276.7388 -222048.7667 163.1952 -2964.1722 -2216.4117 921491.4634 -2964.1722 -2216.4117
ENERGY: 484 20460.8928 19631.1941 5730.2465 187.5455 -336590.8877 23126.1354 0.0000 0.0000 45003.6025 -222451.2710 163.7107 -267454.8734 -222059.8735 163.7107 -1565.2422 -2143.1848 921491.4634 -1565.2422 -2143.1848
ENERGY: 485 19688.7722 19800.2992 5730.5256 185.2458 -335902.5859 23092.8472 0.0000 0.0000 44955.5720 -222449.3239 163.5360 -267404.8959 -222045.9599 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5427 19954.8176 5729.7197 182.4662 -335612.3560 23080.3809 0.0000 0.0000 44645.9115 -222416.5175 162.4096 -267062.4290 -222044.6753 162.4096 87.3183 -2070.0981 921491.4634 87.3183 -2070.0981
ENERGY: 487 19881.0926 20072.0212 5727.4347 179.4360 -335846.4475 23091.0545 0.0000 0.0000 44503.3493 -222392.0592 161.8910 -266895.4085 -222045.2400 161.8910 -192.2345 -2106.8840 921491.4634 -192.2345 -2106.8840
ENERGY: 488 20125.2102 20156.1360 5723.5440 176.4338 -336552.5448 23118.8617 0.0000 0.0000 44827.0554 -222425.3037 163.0685 -267252.3591 -222057.1934 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8876 20236.4608 5718.5748 173.8639 -337540.4650 23156.7311 0.0000 0.0000 45266.1000 -222461.8469 164.6656 -267727.9468 -222045.6081 164.6656 -2511.2408 -2316.7068 921491.4634 -2511.2408 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9022 5712.8912 171.8438 -338458.1354 23196.4878 0.0000 0.0000 45213.5624 -222459.6989 164.4745 -267673.2613 -222048.2203 164.4745 -3823.4042 -2437.4157 921491.4634 -3823.4042 -2437.4157
ENERGY: 491 22430.4639 20312.1361 5707.3794 170.5404 -338984.5785 23226.0937 0.0000 0.0000 44733.0086 -222404.9564 162.7264 -267137.9650 -222049.4634 162.7264 -4629.6937 -2524.6217 921491.4634 -4629.6937 -2524.6217
ENERGY: 492 22612.9545 20289.6811 5702.9944 170.0208 -338937.5805 23232.7204 0.0000 0.0000 44542.1947 -222387.0146 162.0323 -266929.2094 -222060.3856 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2186 20260.7373 5700.7779 170.3201 -338358.0621 23214.0535 0.0000 0.0000 45033.8226 -222420.1321 163.8207 -267453.9547 -222046.5896 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3365 20225.0259 5700.9805 171.2193 -337454.3822 23183.0793 0.0000 0.0000 45622.2472 -222483.4935 165.9612 -268105.7406 -222044.0863 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2461 20186.8299 5703.5926 172.5416 -336566.9873 23159.4622 0.0000 0.0000 45484.1229 -222477.1921 165.4587 -267961.3150 -222041.5559 165.4587 -1249.6838 -2407.3058 921491.4634 -1249.6838 -2407.3058
ENERGY: 496 19722.4832 20130.6470 5708.0350 174.0933 -335998.7143 23154.2633 0.0000 0.0000 44699.5270 -222409.6655 162.6046 -267109.1925 -222049.0665 162.6046 -478.8998 -2343.4752 921491.4634 -478.8998 -2343.4752
ENERGY: 497 20212.6668 20059.9174 5713.4613 175.7242 -335952.5030 23166.3542 0.0000 0.0000 44261.0288 -222363.3505 161.0095 -266624.3793 -222042.7495 161.0095 -421.0234 -2316.7929 921491.4634 -421.0234 -2316.7929
ENERGY: 498 20182.0167 19957.1214 5718.5596 177.2604 -336366.4922 23189.3581 0.0000 0.0000 44728.2532 -222413.9228 162.7091 -267142.1760 -222044.5214 162.7091 -993.4682 -2331.6474 921491.4634 -993.4682 -2331.6474
ENERGY: 499 20158.0681 19847.7308 5722.4089 178.6361 -337058.4813 23219.2399 0.0000 0.0000 45439.2640 -222493.1334 165.2956 -267932.3974 -222047.2057 165.2956 -2020.8691 -2376.3392 921491.4634 -2020.8691 -2376.3392
Info: Benchmark time: 4 CPUs 0.456766 s/step 5.28664 days/ns 3224.27 MB memory
TIMING: 500 CPU: 233.971, 0.453306/step Wall: 233.971, 0.453306/step, 0 hours remaining, 3224.265625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6585 5724.4523 179.8271 -337741.4181 23251.1003 0.0000 0.0000 45359.0774 -222495.4086 165.0039 -267854.4860 -222061.0904 165.0039 -3197.5171 -2425.4144 921491.4634 -3197.5171 -2425.4144
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, 3229.203 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.203 MB of memory in use
====================================================
WallClock: 240.842010 CPUTime: 240.842010 Memory: 3229.203125 MB
[Partition 0][Node 0] End of program
Application 109844239 resources: utime ~947s, stime ~18s, Rss ~126700, inblocks ~67007, outblocks ~72238
Displaying status file:
verified
WALL=240.842010
CPU=240.842010
MEM=3229.203125
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins13821793197983296016.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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