Skipping 717 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.8029
LDB: Largest compute 200 load 0.429382 is 1.2% of average load 36.781165
LDB: Average compute 0.051517 is 0.1% of average load 36.781165
LDB: Partitioning computes with target load 3.678116
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055703
LDB: ============== END OF LOAD BALANCING =============== 54.805
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.8059
Info: Initial time: 4 CPUs 0.474493 s/step 5.49182 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.4221, 0.473493/step Wall: 48.4221, 0.473493/step, 0.0526104 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 ============== 64.2569
LDB: ============== END OF LOAD BALANCING =============== 64.257
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.2575
TIMING: 120 CPU: 57.8731, 0.472546/step Wall: 57.8731, 0.472546/step, 0.0498799 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
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8737 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3174, 0.472216/step Wall: 67.3174, 0.472216/step, 0.0472216 hours remaining, 3222.000000 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: 76.7494, 0.471602/step Wall: 76.7494, 0.471602/step, 0.0445402 hours remaining, 3222.136719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 161 21561.6000 18685.5960 5704.9782 178.2042 -333710.7595 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6679 -222160.9738 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6066 -222342.9104 156.6790 -265413.5170 -222161.4906 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8223 20884.6196 0.0000 0.0000 43005.6961 -222309.0504 156.4429 -265314.7465 -222160.7800 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1566 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -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: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5398 -222127.3368 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2973 21015.2133 0.0000 0.0000 43101.1544 -222314.9823 156.7902 -265416.1367 -222126.1320 156.7902 -2936.2254 -2665.7682 921491.4634 -2936.2254 -2665.7682
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TIMING: 180 CPU: 86.1725, 0.471154/step Wall: 86.1725, 0.471154/step, 0.0418804 hours remaining, 3222.277344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 183 22149.3487 19677.1534 5722.7616 169.5349 -332921.8738 21084.4911 0.0000 0.0000 41834.8233 -222283.7608 152.1836 -264118.5841 -222131.2591 152.1836 -1990.8047 -2626.5158 921491.4634 -1990.8047 -2626.5158
ENERGY: 184 18376.8756 19424.9915 5710.5469 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6144 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0858 -222130.9082 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8662 19594.9321 5717.4229 183.5644 -332319.6953 21082.8579 0.0000 0.0000 43603.6155 -222381.4364 158.6180 -265985.0519 -222096.3130 158.6180 -1480.5941 -2574.8093 921491.4634 -1480.5941 -2574.8093
ENERGY: 197 21700.3670 19122.7581 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3654 -222242.4589 154.8738 -264816.8243 -222086.7182 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3185 -222090.4394 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.981
LDB: Largest compute 200 load 0.425205 is 1.2% of average load 36.602220
LDB: Average compute 0.051258 is 0.1% of average load 36.602220
LDB: TIME 101.983 LOAD: AVG 36.6022 MAX 37.7237 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.62 MB
LDB: TIME 101.985 LOAD: AVG 36.6022 MAX 37.5375 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.62 MB
LDB: ============== END OF LOAD BALANCING =============== 101.987
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.99
Info: Initial time: 4 CPUs 0.471669 s/step 5.45913 days/ns 3223.74 MB memory
TIMING: 200 CPU: 95.599, 0.471322/step Wall: 95.599, 0.471322/step, 0.0392769 hours remaining, 3223.742188 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 -334670.2810 21209.9248 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1373 -222114.5245 164.8586 -5241.8524 -2703.6813 921491.4634 -5241.8524 -2703.6813
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4189 -334751.7130 21239.1341 0.0000 0.0000 43222.4695 -222327.9743 157.2315 -265550.4437 -222100.1079 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6234 -222096.8291 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2552 21197.9185 0.0000 0.0000 44690.7150 -222526.2118 162.5725 -267216.9268 -222099.8062 162.5725 731.8533 -2447.6354 921491.4634 731.8533 -2447.6354
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ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9793 21289.9001 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8170 20325.0060 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0618 -222106.7902 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 -336615.7770 21385.1095 0.0000 0.0000 45251.4335 -222516.0283 164.6123 -267767.4618 -222108.2017 164.6123 -6091.3662 -2896.2628 921491.4634 -6091.3662 -2896.2628
ENERGY: 211 24099.1927 19985.8633 5704.9373 176.9105 -336667.8929 21415.1476 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2977 -2885.1011 921491.4634 -5900.2977 -2885.1011
ENERGY: 212 23739.2709 19730.8224 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5250 5720.1722 175.9508 -334874.6442 21380.5551 0.0000 0.0000 45418.7805 -222504.4446 165.2210 -267923.2251 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6587 -222093.7406 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3321 21379.5595 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0446 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1060 21436.4835 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6756 21497.2705 0.0000 0.0000 41983.6750 -222225.0681 152.7251 -264208.7432 -222064.4463 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1145 21546.6560 0.0000 0.0000 44178.6836 -222478.5359 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.013, 0.470726/step Wall: 105.013, 0.470726/step, 0.036612 hours remaining, 3223.742188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.418, 0.470208/step Wall: 114.418, 0.470208/step, 0.0339594 hours remaining, 3223.742188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8718 -222396.7194 158.3388 -265923.5912 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0689 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2855 -222078.7770 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7601 5725.7784 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7026 5716.8932 174.1558 -334213.1206 21705.0850 0.0000 0.0000 43600.4181 -222284.3177 158.6063 -265884.7358 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6441 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1911 -222431.6936 163.3782 -267343.8847 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4924 20164.4298 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6226 -222090.3127 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -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 21994.9041 20013.1599 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3720 -222425.8458 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1808 21784.0536 0.0000 0.0000 45520.0192 -222581.3414 165.5893 -268101.3606 -222082.7208 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0882 19348.2295 5720.5008 195.9622 -333839.8800 21752.6524 0.0000 0.0000 45220.9196 -222528.5274 164.5013 -267749.4470 -222080.4689 164.5013 -2707.1338 -2696.1701 921491.4634 -2707.1338 -2696.1701
ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9235 21746.1515 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4625 -222078.3978 158.8501 -2282.5426 -2662.7815 921491.4634 -2282.5426 -2662.7815
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0039 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2578 -222556.7763 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.81, 0.469639/step Wall: 123.81, 0.469639/step, 0.0313093 hours remaining, 3224.046875 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9541 19188.2463 5675.1875 191.0393 -336169.7729 21924.7893 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5564 -222069.6815 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7861 21947.6073 0.0000 0.0000 44601.6345 -222438.8162 162.2485 -267040.4508 -222052.4325 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5623 5703.8103 187.9445 -335614.9716 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1550 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9513 21907.7772 0.0000 0.0000 44751.4784 -222476.8389 162.7936 -267228.3173 -222069.1983 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
ENERGY: 265 19946.8416 20681.9927 5713.6241 187.4392 -334395.6634 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3372 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7899 20788.8702 5712.1327 187.6137 -334399.4578 21914.4804 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0905 20691.2680 5707.0583 187.8501 -334831.4856 21930.8373 0.0000 0.0000 44220.2168 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7517 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 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 22620.1932 19450.9168 5690.3173 187.1618 -336650.6773 22028.8070 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7891 22035.2500 0.0000 0.0000 44829.4473 -222406.5211 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4613 22015.0579 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1571 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6857 -222069.0458 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1278 21971.0409 0.0000 0.0000 44028.5273 -222412.2138 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3451 21997.2386 0.0000 0.0000 44632.8113 -222481.8216 162.3619 -267114.6328 -222061.0986 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2541 -222463.7059 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0881 -222376.7277 159.9693 -266351.8158 -222065.2021 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.192, 0.469056/step Wall: 133.192, 0.469056/step, 0.0286645 hours remaining, 3224.046875 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: 283 20432.1061 19966.6617 5678.8137 187.1634 -336251.9205 22171.0647 0.0000 0.0000 45328.8522 -222487.2587 164.8939 -267816.1109 -222060.8460 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
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ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8229 -334658.1150 22176.6862 0.0000 0.0000 43785.6884 -222425.2210 159.2803 -266210.9094 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9440 -222485.6057 161.0892 -266768.5497 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2852 5736.9557 182.7335 -335468.3148 22237.9037 0.0000 0.0000 44116.9906 -222455.2374 160.4855 -266572.2281 -222066.9052 160.4855 -3310.5878 -2790.1554 921491.4634 -3310.5878 -2790.1554
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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 ============== 148.981
LDB: Largest compute 200 load 0.517854 is 1.1% of average load 45.723551
LDB: Average compute 0.064034 is 0.1% of average load 45.723551
LDB: TIME 148.983 LOAD: AVG 45.7236 MAX 46.991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 148.984 LOAD: AVG 45.7236 MAX 46.991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 149 LOAD: AVG 45.7236 MAX 46.2335 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 149.001
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.002
Info: Initial time: 4 CPUs 0.469606 s/step 5.43526 days/ns 3224.25 MB memory
TIMING: 300 CPU: 142.581, 0.469468/step Wall: 142.581, 0.469468/step, 0.0260816 hours remaining, 3224.246094 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: 151.796, 0.460753/step Wall: 151.796, 0.460753/step, 0.0230377 hours remaining, 3224.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.005, 0.460464/step Wall: 161.005, 0.460464/step, 0.0204651 hours remaining, 3224.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.207, 0.460076/step Wall: 170.207, 0.460076/step, 0.0178918 hours remaining, 3224.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1595 5706.5522 182.3248 -335763.5805 22794.3775 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7058 -222041.4013 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8098 20495.6596 5711.4639 183.2952 -336584.2282 22821.5839 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4158 -222044.3968 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.402, 0.459765/step Wall: 179.402, 0.459765/step, 0.0153255 hours remaining, 3224.246094 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: 385 19327.8182 19356.8910 5707.7752 177.4354 -335210.6404 22871.6147 0.0000 0.0000 45299.7169 -222469.3891 164.7879 -267769.1059 -222051.0994 164.7879 215.3514 -2064.3636 921491.4634 215.3514 -2064.3636
ENERGY: 386 19981.2273 19220.9463 5707.6638 175.9384 -334865.1821 22880.7961 0.0000 0.0000 44519.8585 -222378.7517 161.9510 -266898.6101 -222051.0439 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2859 19202.4843 5710.9354 174.6759 -335109.8730 22905.2747 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0051 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1520 22938.2904 0.0000 0.0000 44972.7761 -222459.6728 163.5986 -267432.4490 -222067.4815 163.5986 -2063.8550 -2076.2818 921491.4634 -2063.8550 -2076.2818
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8117 20133.3592 5716.9814 176.0456 -336812.3389 23014.0589 0.0000 0.0000 45592.7325 -222486.3497 165.8538 -268079.0821 -222045.7223 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 195.023
LDB: Largest compute 230 load 0.522699 is 1.1% of average load 45.612179
LDB: Average compute 0.063867 is 0.1% of average load 45.612179
LDB: TIME 195.025 LOAD: AVG 45.6122 MAX 46.0206 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.25 MB
LDB: TIME 195.025 LOAD: AVG 45.6122 MAX 46.0206 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: TIME 195.026 LOAD: AVG 45.6122 MAX 46.0206 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.25 MB
LDB: ============== END OF LOAD BALANCING =============== 195.026
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.027
Info: Benchmark time: 4 CPUs 0.460149 s/step 5.32579 days/ns 3224.25 MB memory
TIMING: 400 CPU: 188.6, 0.45989/step Wall: 188.6, 0.45989/step, 0.0127747 hours remaining, 3224.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9695 19778.4827 5715.7218 174.2695 -337239.9786 23077.8406 0.0000 0.0000 45225.5960 -222483.0985 164.5183 -267708.6945 -222046.6855 164.5183 -3613.5978 -2605.7427 921491.4634 -3613.5978 -2605.7427
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ENERGY: 408 19735.8470 19387.6646 5692.2152 187.5226 -335902.8221 23017.8176 0.0000 0.0000 45394.4120 -222487.3431 165.1324 -267881.7551 -222063.5310 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1188 19376.4610 5688.4775 191.1593 -336896.6851 23057.9925 0.0000 0.0000 45733.6057 -222498.8702 166.3663 -268232.4759 -222051.6703 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1418 20138.5251 5699.9334 199.7191 -337872.5328 23125.1119 0.0000 0.0000 45113.2146 -222465.8869 164.1095 -267579.1015 -222055.3453 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
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ENERGY: 415 19745.2667 20572.1260 5708.7452 198.1487 -336456.1982 23071.1994 0.0000 0.0000 44733.2278 -222427.4844 162.7272 -267160.7122 -222049.0346 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3170 20661.9896 5710.0857 195.6953 -336157.5871 23063.1718 0.0000 0.0000 44200.2855 -222384.0421 160.7885 -266584.3277 -222052.9644 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3209 5709.0494 192.4696 -336373.1084 23072.1101 0.0000 0.0000 44338.4625 -222398.3209 161.2911 -266736.7834 -222044.6993 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6649 20457.0909 5705.5847 188.6536 -336970.7877 23098.6729 0.0000 0.0000 44915.1427 -222450.9778 163.3889 -267366.1206 -222046.7093 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7633 20185.5524 5700.4810 184.6054 -337717.8765 23139.8026 0.0000 0.0000 45250.3105 -222466.3613 164.6082 -267716.6718 -222049.5950 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.776, 0.458795/step Wall: 197.776, 0.458795/step, 0.0101954 hours remaining, 3224.246094 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: 432 21768.3703 20188.6726 5710.3547 168.1086 -338651.2106 23176.0848 0.0000 0.0000 45177.9909 -222461.6288 164.3451 -267639.6196 -222065.9061 164.3451 -3350.2743 -2296.1499 921491.4634 -3350.2743 -2296.1499
ENERGY: 433 21200.9072 20275.9665 5710.3763 168.4633 -338164.0641 23162.2913 0.0000 0.0000 45192.9282 -222453.1313 164.3995 -267646.0595 -222052.5984 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3413 20338.1500 5711.6061 169.3247 -337394.2707 23140.7738 0.0000 0.0000 44883.0995 -222420.9754 163.2724 -267304.0749 -222051.1465 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6558 23123.4101 0.0000 0.0000 44675.9837 -222398.7946 162.5189 -267074.7783 -222049.5891 162.5189 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
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TIMING: 440 CPU: 206.942, 0.458336/step Wall: 206.942, 0.458336/step, 0.00763893 hours remaining, 3224.246094 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 20036.2373 5729.7527 186.7201 -338123.1810 23276.2490 0.0000 0.0000 44417.5452 -222405.1081 161.5788 -266822.6533 -222059.4775 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
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ENERGY: 442 21853.6117 19664.5350 5729.4854 192.9411 -338090.1535 23327.1572 0.0000 0.0000 44880.6315 -222441.7916 163.2634 -267322.4231 -222049.7758 163.2634 -2710.5575 -2229.0696 921491.4634 -2710.5575 -2229.0696
ENERGY: 443 21064.3315 19487.0723 5727.6164 194.9329 -337369.3152 23320.0162 0.0000 0.0000 45118.1101 -222457.2357 164.1273 -267575.3458 -222048.5998 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3364 19357.2690 5725.4095 195.8735 -336464.1921 23301.5280 0.0000 0.0000 44987.7170 -222447.0588 163.6529 -267434.7758 -222057.9797 163.6529 -2090.2097 -2206.4398 921491.4634 -2090.2097 -2206.4398
ENERGY: 445 20125.5608 19307.2518 5723.6513 195.6942 -335759.3913 23283.8143 0.0000 0.0000 44708.7147 -222414.7041 162.6380 -267123.4188 -222046.5428 162.6380 -1846.9624 -2201.6924 921491.4634 -1846.9624 -2201.6924
ENERGY: 446 19947.6804 19324.9007 5722.5430 194.3235 -335494.5707 23276.0455 0.0000 0.0000 44620.2938 -222408.7839 162.3164 -267029.0776 -222046.1620 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2847 19416.0212 5722.2107 191.8641 -335769.4399 23282.7462 0.0000 0.0000 44816.5079 -222425.8050 163.0301 -267242.3129 -222046.8343 163.0301 -1993.3112 -2253.0601 921491.4634 -1993.3112 -2253.0601
ENERGY: 448 20187.5922 19583.6803 5722.5764 188.5554 -336503.1799 23303.8907 0.0000 0.0000 45065.6664 -222451.2184 163.9365 -267516.8849 -222059.3480 163.9365 -2372.1877 -2303.7896 921491.4634 -2372.1877 -2303.7896
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1302 5724.4776 181.0898 -338419.3246 23364.6245 0.0000 0.0000 44854.3086 -222432.2085 163.1676 -267286.5171 -222048.7860 163.1676 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5901 20357.7256 5724.7144 177.6517 -338952.0904 23381.8008 0.0000 0.0000 44542.6978 -222411.9100 162.0341 -266954.6078 -222048.8245 162.0341 -3074.2531 -2405.7796 921491.4634 -3074.2531 -2405.7796
ENERGY: 452 22246.2013 20536.0134 5723.8953 174.8859 -338927.1532 23378.0944 0.0000 0.0000 44452.9189 -222415.1439 161.7075 -266868.0629 -222059.6370 161.7075 -2659.9603 -2384.7567 921491.4634 -2659.9603 -2384.7567
ENERGY: 453 21399.8726 20641.1310 5722.2878 173.1350 -338392.7929 23354.5908 0.0000 0.0000 44683.7026 -222418.0730 162.5470 -267101.7757 -222043.5371 162.5470 -2048.3337 -2342.4667 921491.4634 -2048.3337 -2342.4667
ENERGY: 454 20248.3382 20654.1373 5720.2217 172.3637 -337567.1410 23320.6902 0.0000 0.0000 45008.1458 -222443.2441 163.7273 -267451.3899 -222041.8391 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7908 20584.7119 5718.4844 172.5169 -336790.6449 23290.4023 0.0000 0.0000 45086.5782 -222451.1603 164.0126 -267537.7385 -222040.8570 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1074 23274.9631 0.0000 0.0000 44811.4720 -222438.4397 163.0118 -267249.9117 -222055.3487 163.0118 -1305.5006 -2245.5824 921491.4634 -1305.5006 -2245.5824
ENERGY: 457 20047.4930 20251.9434 5718.5580 174.9241 -336395.8164 23277.8273 0.0000 0.0000 44521.8701 -222403.2004 161.9583 -266925.0705 -222049.4134 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8437 20019.2723 5720.7061 176.6081 -336835.0958 23294.7171 0.0000 0.0000 44632.7884 -222405.1601 162.3618 -267037.9485 -222051.2824 162.3618 -2684.6990 -2301.0428 921491.4634 -2684.6990 -2301.0428
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TIMING: 460 CPU: 216.1, 0.457875/step Wall: 216.1, 0.457875/step, 0.0050875 hours remaining, 3224.246094 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 22264.2254 19487.8107 5736.4822 180.9531 -337988.7168 23351.1083 0.0000 0.0000 44559.9294 -222408.2076 162.0968 -266968.1370 -222056.7216 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1792 19513.9014 5738.9361 181.1160 -337284.1026 23326.9474 0.0000 0.0000 44313.4572 -222388.5654 161.2002 -266702.0226 -222054.6244 161.2002 -2012.4425 -2264.0780 921491.4634 -2012.4425 -2264.0780
ENERGY: 464 20535.2461 19559.9271 5739.2518 181.0096 -336389.3835 23291.1938 0.0000 0.0000 44654.0267 -222428.7283 162.4391 -267082.7550 -222058.5728 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7827 19631.8854 5737.2898 180.7155 -335701.1530 23259.7387 0.0000 0.0000 45094.5690 -222474.1718 164.0416 -267568.7408 -222052.9386 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4509 19708.3583 5733.2107 180.2808 -335443.7723 23245.0599 0.0000 0.0000 45020.7912 -222467.6205 163.7733 -267488.4117 -222052.9784 163.7733 -630.3315 -2182.6711 921491.4634 -630.3315 -2182.6711
ENERGY: 467 19841.8070 19783.1745 5727.6704 179.7757 -335721.0951 23249.4525 0.0000 0.0000 44523.6669 -222415.5481 161.9649 -266939.2150 -222054.3493 161.9649 -1393.6031 -2232.5925 921491.4634 -1393.6031 -2232.5925
ENERGY: 468 20761.8484 19845.4946 5721.5089 179.2779 -336451.5669 23265.8120 0.0000 0.0000 44291.6589 -222385.9662 161.1209 -266677.6251 -222056.3590 161.1209 -2508.6717 -2314.1342 921491.4634 -2508.6717 -2314.1342
ENERGY: 469 21236.3019 19910.2025 5715.6824 178.8504 -337458.3207 23284.3957 0.0000 0.0000 44720.3207 -222412.5672 162.6802 -267132.8878 -222046.0749 162.6802 -3596.7409 -2405.7974 921491.4634 -3596.7409 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8938 5710.9491 178.5947 -338383.2514 23297.0668 0.0000 0.0000 45346.4581 -222466.1156 164.9580 -267812.5737 -222047.6088 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8678 20054.6838 5707.9626 178.5890 -338913.2459 23297.5080 0.0000 0.0000 45471.3376 -222470.2970 165.4122 -267941.6346 -222047.5359 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2361 20161.5554 5707.0091 178.9047 -338870.6776 23279.4487 0.0000 0.0000 45028.5306 -222433.9930 163.8014 -267462.5236 -222059.5059 163.8014 -3659.7362 -2479.9187 921491.4634 -3659.7362 -2479.9187
ENERGY: 473 21866.1364 20289.3429 5707.9843 179.6165 -338307.7200 23240.7359 0.0000 0.0000 44634.5181 -222389.3860 162.3681 -267023.9041 -222043.8540 162.3681 -2556.3618 -2408.1660 921491.4634 -2556.3618 -2408.1660
ENERGY: 474 20842.9707 20372.0988 5710.2160 180.7466 -337438.4561 23189.2344 0.0000 0.0000 44733.2313 -222409.9582 162.7272 -267143.1895 -222041.2621 162.7272 -1295.5527 -2316.2731 921491.4634 -1295.5527 -2316.2731
ENERGY: 475 19674.2081 20371.7676 5712.9876 182.2512 -336604.2322 23142.3814 0.0000 0.0000 45070.2146 -222450.4217 163.9531 -267520.6363 -222039.4531 163.9531 -344.6452 -2232.2128 921491.4634 -344.6452 -2232.2128
ENERGY: 476 19235.7862 20282.0276 5715.7683 184.0125 -336100.0913 23115.8463 0.0000 0.0000 45106.0641 -222460.5863 164.0835 -267566.6504 -222053.6140 164.0835 -92.4053 -2183.0656 921491.4634 -92.4053 -2183.0656
ENERGY: 477 19704.7251 20145.9814 5718.4976 185.9230 -336101.8798 23114.2936 0.0000 0.0000 44812.3215 -222420.1376 163.0149 -267232.4591 -222044.8413 163.0149 -667.4950 -2171.8231 921491.4634 -667.4950 -2171.8231
ENERGY: 478 20493.4779 19974.7638 5721.0254 187.7262 -336537.4044 23131.2457 0.0000 0.0000 44627.0337 -222402.1316 162.3409 -267029.1653 -222047.4108 162.3409 -1807.1608 -2198.7959 921491.4634 -1807.1608 -2198.7959
ENERGY: 479 21125.3060 19793.3955 5723.3295 189.2099 -337215.5844 23156.6769 0.0000 0.0000 44802.1582 -222425.5084 162.9779 -267227.6666 -222050.5461 162.9779 -3089.8519 -2246.7920 921491.4634 -3089.8519 -2246.7920
TIMING: 480 CPU: 225.255, 0.457748/step Wall: 225.255, 0.457748/step, 0.00254305 hours remaining, 3224.246094 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 21624.0327 19623.1963 5725.3111 190.1901 -337854.6789 23181.5116 0.0000 0.0000 45051.6819 -222458.7552 163.8856 -267510.4371 -222064.6212 163.8856 -4077.7328 -2291.4893 921491.4634 -4077.7328 -2291.4893
ENERGY: 481 22092.4853 19510.0431 5727.0953 190.6351 -338199.2482 23196.7957 0.0000 0.0000 45041.3373 -222440.8565 163.8480 -267482.1938 -222052.5267 163.8480 -4466.2394 -2305.6734 921491.4634 -4466.2394 -2305.6734
ENERGY: 482 22186.3467 19466.6792 5728.4964 190.3598 -338044.5419 23192.7472 0.0000 0.0000 44865.8523 -222414.0602 163.2096 -267279.9125 -222051.4114 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1415 19511.5744 5729.5661 189.3227 -337426.2185 23165.8738 0.0000 0.0000 44861.8969 -222414.8431 163.1953 -267276.7401 -222048.7674 163.1953 -2964.1722 -2216.4117 921491.4634 -2964.1722 -2216.4117
ENERGY: 484 20460.8928 19631.1939 5730.2465 187.5455 -336590.8886 23126.1349 0.0000 0.0000 45003.6029 -222451.2721 163.7107 -267454.8750 -222059.8746 163.7107 -1565.2427 -2143.1853 921491.4634 -1565.2427 -2143.1853
ENERGY: 485 19688.7722 19800.2993 5730.5256 185.2458 -335902.5866 23092.8468 0.0000 0.0000 44955.5720 -222449.3250 163.5360 -267404.8970 -222045.9610 163.5360 -422.1572 -2086.8739 921491.4634 -422.1572 -2086.8739
ENERGY: 486 19602.5427 19954.8179 5729.7198 182.4662 -335612.3566 23080.3804 0.0000 0.0000 44645.9111 -222416.5186 162.4096 -267062.4296 -222044.6764 162.4096 87.3177 -2070.0985 921491.4634 87.3177 -2070.0985
ENERGY: 487 19881.0925 20072.0216 5727.4348 179.4360 -335846.4479 23091.0541 0.0000 0.0000 44503.3486 -222392.0603 161.8910 -266895.4089 -222045.2411 161.8910 -192.2351 -2106.8844 921491.4634 -192.2351 -2106.8844
ENERGY: 488 20125.2099 20156.1364 5723.5441 176.4338 -336552.5445 23118.8613 0.0000 0.0000 44827.0547 -222425.3043 163.0685 -267252.3590 -222057.1940 163.0685 -1145.7536 -2194.6680 921491.4634 -1145.7536 -2194.6680
ENERGY: 489 20526.8872 20236.4611 5718.5749 173.8639 -337540.4647 23156.7307 0.0000 0.0000 45266.0994 -222461.8475 164.6656 -267727.9469 -222045.6088 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9023 5712.8912 171.8438 -338458.1351 23196.4874 0.0000 0.0000 45213.5620 -222459.6995 164.4745 -267673.2615 -222048.2210 164.4745 -3823.4039 -2437.4155 921491.4634 -3823.4039 -2437.4155
ENERGY: 491 22430.4638 20312.1362 5707.3795 170.5404 -338984.5783 23226.0933 0.0000 0.0000 44733.0080 -222404.9571 162.7264 -267137.9651 -222049.4640 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9546 20289.6812 5702.9945 170.0208 -338937.5806 23232.7201 0.0000 0.0000 44542.1940 -222387.0154 162.0323 -266929.2094 -222060.3863 162.0323 -4606.8524 -2557.4731 921491.4634 -4606.8524 -2557.4731
ENERGY: 493 21558.2188 20260.7377 5700.7779 170.3200 -338358.0623 23214.0533 0.0000 0.0000 45033.8217 -222420.1329 163.8207 -267453.9546 -222046.5904 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3367 20225.0265 5700.9806 171.2193 -337454.3825 23183.0791 0.0000 0.0000 45622.2462 -222483.4942 165.9612 -268105.7405 -222044.0871 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2462 20186.8305 5703.5926 172.5416 -336566.9876 23159.4620 0.0000 0.0000 45484.1219 -222477.1928 165.4587 -267961.3147 -222041.5566 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4832 20130.6477 5708.0350 174.0933 -335998.7145 23154.2630 0.0000 0.0000 44699.5259 -222409.6663 162.6046 -267109.1922 -222049.0673 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6667 20059.9180 5713.4613 175.7242 -335952.5033 23166.3540 0.0000 0.0000 44261.0278 -222363.3514 161.0095 -266624.3792 -222042.7504 161.0095 -421.0235 -2316.7930 921491.4634 -421.0235 -2316.7930
ENERGY: 498 20182.0166 19957.1217 5718.5596 177.2604 -336366.4925 23189.3579 0.0000 0.0000 44728.2525 -222413.9237 162.7091 -267142.1762 -222044.5223 162.7091 -993.4682 -2331.6475 921491.4634 -993.4682 -2331.6475
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4817 23219.2398 0.0000 0.0000 45439.2638 -222493.1343 165.2956 -267932.3981 -222047.2066 165.2956 -2020.8690 -2376.3393 921491.4634 -2020.8690 -2376.3393
Info: Benchmark time: 4 CPUs 0.457362 s/step 5.29354 days/ns 3224.25 MB memory
TIMING: 500 CPU: 234.336, 0.454064/step Wall: 234.336, 0.454064/step, 0 hours remaining, 3224.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6582 5724.4523 179.8271 -337741.4183 23251.1003 0.0000 0.0000 45359.0776 -222495.4092 165.0039 -267854.4868 -222061.0910 165.0039 -3197.5168 -2425.4143 921491.4634 -3197.5168 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.340 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.340 MB of memory in use
====================================================
WallClock: 241.649124 CPUTime: 241.649124 Memory: 3229.339844 MB
[Partition 0][Node 0] End of program
Application 109939561 resources: utime ~949s, stime ~19s, Rss ~126956, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.649124
CPU=241.649124
MEM=3229.339844
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins11110268533150070519.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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