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 ============== 54.2818
LDB: Largest compute 200 load 0.430551 is 1.2% of average load 36.812629
LDB: Average compute 0.051571 is 0.1% of average load 36.812629
LDB: Partitioning computes with target load 3.681263
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055650
LDB: ============== END OF LOAD BALANCING =============== 54.2839
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2848
Info: Initial time: 4 CPUs 0.474151 s/step 5.48786 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.3891, 0.473142/step Wall: 48.3891, 0.473142/step, 0.0525713 hours remaining, 3221.484375 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 ============== 63.7277
LDB: ============== END OF LOAD BALANCING =============== 63.7278
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7283
TIMING: 120 CPU: 57.8299, 0.472038/step Wall: 57.8299, 0.472038/step, 0.0498262 hours remaining, 3221.691406 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 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.2674, 0.471874/step Wall: 67.2674, 0.471874/step, 0.0471874 hours remaining, 3221.902344 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: 76.6946, 0.471363/step Wall: 76.6946, 0.471363/step, 0.0445176 hours remaining, 3222.113281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2845 18859.3046 5717.0749 174.4915 -333735.9153 20833.5471 0.0000 0.0000 44515.8597 -222542.3530 161.9365 -267058.2127 -222175.6783 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
ENERGY: 161 21561.6003 18685.5960 5704.9782 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7115 -222493.9563 160.8628 -266714.6677 -222160.9735 160.8628 -4385.1102 -2823.4851 921491.4634 -4385.1102 -2823.4851
ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6494 20887.8856 0.0000 0.0000 43070.6069 -222342.9101 156.6790 -265413.5170 -222161.4903 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8221 20884.6196 0.0000 0.0000 43005.6963 -222309.0501 156.4429 -265314.7464 -222160.7797 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1566 -222149.7707 154.5754 -1735.9906 -2933.5976 921491.4634 -1735.9906 -2933.5976
ENERGY: 169 20648.4666 20870.4069 5789.9166 204.9287 -334596.5070 20994.5723 0.0000 0.0000 43600.1910 -222488.0250 158.6055 -266088.2160 -222133.5314 158.6055 -2095.8777 -2988.7947 921491.4634 -2095.8777 -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 19195.1038 18891.7629 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5121 -222468.0276 162.6882 -267190.5396 -222127.3367 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2626 -222252.6193 155.3827 -264966.8819 -222125.5134 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1546 -222314.9822 156.7902 -265416.1368 -222126.1319 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.1087, 0.470706/step Wall: 86.1087, 0.470706/step, 0.0418405 hours remaining, 3222.113281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9916 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5528 -222572.3088 163.2631 -267452.8617 -222144.6140 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
ENERGY: 185 16957.7744 19234.6874 5697.7241 178.4155 -331895.6961 21023.9443 0.0000 0.0000 46149.4988 -222653.6516 167.8792 -268803.1504 -222128.1654 167.8792 -1752.9883 -2679.2077 921491.4634 -1752.9883 -2679.2077
ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5888 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
ENERGY: 188 22101.1831 19886.6773 5676.0120 186.3502 -334382.7610 21093.9045 0.0000 0.0000 43113.1616 -222325.4723 156.8338 -265438.6340 -222135.3905 156.8338 -4316.2656 -2887.0591 921491.4634 -4316.2656 -2887.0591
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8662 19594.9320 5717.4229 183.5644 -332319.6950 21082.8579 0.0000 0.0000 43603.6156 -222381.4360 158.6180 -265985.0516 -222096.3126 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3656 -222242.4586 154.8738 -264816.8241 -222086.7178 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2865 -222391.0319 159.7372 -266302.3184 -222090.4390 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.422
LDB: Largest compute 200 load 0.425623 is 1.2% of average load 36.624879
LDB: Average compute 0.051305 is 0.1% of average load 36.624879
LDB: TIME 101.424 LOAD: AVG 36.6249 MAX 37.6934 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.49 MB
LDB: TIME 101.426 LOAD: AVG 36.6249 MAX 37.5255 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.49 MB
LDB: ============== END OF LOAD BALANCING =============== 101.428
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.431
Info: Initial time: 4 CPUs 0.47129 s/step 5.45474 days/ns 3223.7 MB memory
TIMING: 200 CPU: 95.5279, 0.47096/step Wall: 95.5279, 0.47096/step, 0.0392467 hours remaining, 3223.695312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6838 18595.6349 5711.8747 190.0258 -334670.2811 21209.9247 0.0000 0.0000 45319.1602 -222569.9769 164.8586 -267889.1371 -222114.5242 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7130 21239.1340 0.0000 0.0000 43222.4697 -222327.9740 157.2315 -265550.4436 -222100.1076 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5589 -222241.0644 154.3580 -264673.6234 -222096.8288 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6987 -222431.1632 160.2771 -266490.8619 -222093.6424 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4719 -222628.9809 165.9875 -268258.4529 -222116.7002 165.9875 452.9933 -2462.2930 921491.4634 452.9933 -2462.2930
ENERGY: 205 18189.0791 19868.9415 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7148 -222526.2117 162.5725 -267216.9265 -222099.8061 162.5725 731.8535 -2447.6354 921491.4634 731.8535 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0584 -222274.9357 154.3816 -264713.9941 -222100.3398 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1374 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2376 21322.2410 0.0000 0.0000 44428.6271 -222472.1863 161.6191 -266900.8134 -222122.6312 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6801 -222642.3813 168.3309 -268916.0614 -222106.7898 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2568 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4335 -222516.0279 164.6123 -267767.4614 -222108.2013 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8925 21415.1477 0.0000 0.0000 43031.7286 -222254.1125 156.5376 -265285.8411 -222106.8538 156.5376 -5900.2976 -2885.1009 921491.4634 -5900.2976 -2885.1009
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6225 21412.5983 0.0000 0.0000 42995.1639 -222249.7024 156.4046 -265244.8664 -222104.2317 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7806 -222504.4445 165.2210 -267923.2252 -222097.3833 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3934 21358.4486 0.0000 0.0000 46958.4703 -222681.1883 170.8220 -269639.6586 -222093.7405 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5597 0.0000 0.0000 45302.6746 -222527.8915 164.7987 -267830.5661 -222091.0445 164.7987 784.0015 -2554.0367 921491.4634 784.0015 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1789 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6752 -222225.0682 152.7251 -264208.7433 -222064.4463 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1149 21546.6562 0.0000 0.0000 44178.6838 -222478.5360 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.938, 0.470504/step Wall: 104.938, 0.470504/step, 0.0365948 hours remaining, 3223.695312 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: 114.34, 0.470116/step Wall: 114.34, 0.470117/step, 0.0339529 hours remaining, 3223.695312 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: 243 19462.3620 19969.6446 5749.3614 168.8705 -335233.7065 21770.4748 0.0000 0.0000 45537.0689 -222575.9243 165.6513 -268112.9932 -222061.6672 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6006 21720.5676 0.0000 0.0000 45629.1661 -222554.1192 165.9864 -268183.2853 -222078.7769 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7599 5725.7784 171.4559 -334087.5943 21701.2470 0.0000 0.0000 44168.5247 -222360.5915 160.6730 -266529.1163 -222068.6363 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4182 -222284.3176 158.6063 -265884.7358 -222067.4293 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1840 21719.8454 0.0000 0.0000 44912.1912 -222431.6935 163.3782 -267343.8847 -222068.1392 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1614 -222297.2436 157.0812 -265478.4050 -222071.2737 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0041 21780.2419 0.0000 0.0000 44488.5470 -222428.4889 161.8371 -266917.0359 -222060.1682 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2579 -222556.7760 166.5942 -268353.0339 -222062.0606 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.731, 0.469537/step Wall: 123.731, 0.469537/step, 0.0313025 hours remaining, 3223.695312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6347 -222438.8157 162.2485 -267040.4504 -222052.4320 162.2485 -3214.7559 -2810.4636 921491.4634 -3214.7559 -2810.4636
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ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9511 21907.7773 0.0000 0.0000 44751.4784 -222476.8387 162.7936 -267228.3171 -222069.1981 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
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ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3798 -222348.1910 157.8750 -265747.5709 -222054.3633 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2169 -222446.1644 160.8610 -266666.3813 -222055.6583 160.8610 -2435.4235 -2662.6782 921491.4634 -2435.4235 -2662.6782
ENERGY: 268 19962.9162 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5378 -222504.2922 163.0557 -267327.8300 -222075.9872 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0077 -222365.2735 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7077 -222503.3106 165.9083 -268111.0183 -222081.1568 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5117 183.8526 -334925.7011 21985.5297 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6854 -222069.0455 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 277 19149.2973 19724.7161 5695.5210 182.9396 -333864.3454 21997.2388 0.0000 0.0000 44632.8112 -222481.8215 162.3619 -267114.6327 -222061.0985 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7761 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9599 -222063.4128 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
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TIMING: 280 CPU: 133.11, 0.468939/step Wall: 133.11, 0.468939/step, 0.0286574 hours remaining, 3223.695312 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: 286 19396.6310 20966.5622 5721.5031 185.8230 -334658.1146 22176.6864 0.0000 0.0000 43785.6881 -222425.2210 159.2803 -266210.9090 -222054.0580 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
ENERGY: 287 19176.1192 20856.7822 5731.9346 184.4714 -334918.1478 22200.2911 0.0000 0.0000 44282.9436 -222485.6056 161.0892 -266768.5492 -222055.7250 161.0892 -2148.9612 -2753.3343 921491.4634 -2148.9612 -2753.3343
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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 ============== 148.414
LDB: Largest compute 200 load 0.519514 is 1.1% of average load 45.763332
LDB: Average compute 0.064110 is 0.1% of average load 45.763332
LDB: TIME 148.416 LOAD: AVG 45.7633 MAX 46.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 148.416 LOAD: AVG 45.7633 MAX 46.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 148.432 LOAD: AVG 45.7633 MAX 46.2847 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 148.433
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.434
Info: Initial time: 4 CPUs 0.469535 s/step 5.43444 days/ns 3224.09 MB memory
TIMING: 300 CPU: 142.502, 0.469618/step Wall: 142.502, 0.469618/step, 0.0260899 hours remaining, 3224.085938 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: 151.73, 0.461393/step Wall: 151.73, 0.461393/step, 0.0230696 hours remaining, 3224.085938 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: 160.949, 0.460969/step Wall: 160.949, 0.460969/step, 0.0204875 hours remaining, 3224.085938 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: 170.162, 0.460633/step Wall: 170.162, 0.460633/step, 0.0179135 hours remaining, 3224.085938 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: 380 CPU: 179.37, 0.46038/step Wall: 179.37, 0.46038/step, 0.015346 hours remaining, 3224.085938 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: 386 19981.2273 19220.9463 5707.6638 175.9384 -334865.1812 22880.7953 0.0000 0.0000 44519.8587 -222378.7514 161.9510 -266898.6101 -222051.0435 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2861 19202.4843 5710.9354 174.6759 -335109.8721 22905.2739 0.0000 0.0000 44377.1817 -222372.0347 161.4320 -266749.2164 -222053.0048 161.4320 -738.9586 -2019.1689 921491.4634 -738.9586 -2019.1689
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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 ============== 194.512
LDB: Largest compute 230 load 0.524783 is 1.1% of average load 45.642277
LDB: Average compute 0.063926 is 0.1% of average load 45.642277
LDB: TIME 194.514 LOAD: AVG 45.6423 MAX 46.078 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.09 MB
LDB: TIME 194.515 LOAD: AVG 45.6423 MAX 46.078 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: TIME 194.515 LOAD: AVG 45.6423 MAX 46.078 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.09 MB
LDB: ============== END OF LOAD BALANCING =============== 194.515
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.516
Info: Benchmark time: 4 CPUs 0.460721 s/step 5.33241 days/ns 3224.09 MB memory
TIMING: 400 CPU: 188.578, 0.460431/step Wall: 188.578, 0.460431/step, 0.0127898 hours remaining, 3224.085938 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: 408 19735.8471 19387.6644 5692.2152 187.5226 -335902.8218 23017.8173 0.0000 0.0000 45394.4124 -222487.3429 165.1324 -267881.7553 -222063.5309 165.1324 -920.8281 -2294.1555 921491.4634 -920.8281 -2294.1555
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 415 19745.2665 20572.1261 5708.7452 198.1487 -336456.1970 23071.1990 0.0000 0.0000 44733.2274 -222427.4842 162.7272 -267160.7116 -222049.0343 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3169 20661.9897 5710.0857 195.6953 -336157.5857 23063.1714 0.0000 0.0000 44200.2850 -222384.0418 160.7885 -266584.3268 -222052.9641 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3750 20631.3209 5709.0494 192.4696 -336373.1070 23072.1097 0.0000 0.0000 44338.4619 -222398.3206 161.2911 -266736.7825 -222044.6990 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6648 20457.0908 5705.5847 188.6536 -336970.7862 23098.6724 0.0000 0.0000 44915.1423 -222450.9775 163.3889 -267366.1198 -222046.7090 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7631 20185.5522 5700.4810 184.6054 -337717.8751 23139.8021 0.0000 0.0000 45250.3102 -222466.3610 164.6082 -267716.6712 -222049.5947 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.764, 0.459307/step Wall: 197.764, 0.459307/step, 0.0102068 hours remaining, 3224.085938 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 21768.3705 20188.6727 5710.3547 168.1086 -338651.2098 23176.0838 0.0000 0.0000 45177.9911 -222461.6284 164.3451 -267639.6195 -222065.9057 164.3451 -3350.2745 -2296.1499 921491.4634 -3350.2745 -2296.1499
ENERGY: 433 21200.9071 20275.9666 5710.3763 168.4633 -338164.0632 23162.2903 0.0000 0.0000 45192.9287 -222453.1310 164.3995 -267646.0596 -222052.5981 164.3995 -3187.3736 -2272.1278 921491.4634 -3187.3736 -2272.1278
ENERGY: 434 20730.3410 20338.1501 5711.6061 169.3247 -337394.2698 23140.7727 0.0000 0.0000 44883.1001 -222420.9750 163.2724 -267304.0751 -222051.1461 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2200 20362.4015 5714.0003 170.8455 -336680.6547 23123.4089 0.0000 0.0000 44675.9842 -222398.7943 162.5190 -267074.7785 -222049.5887 162.5190 -2061.3583 -2179.8953 921491.4634 -2061.3583 -2179.8953
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ENERGY: 438 19935.1532 20278.6093 5724.6884 179.3849 -336899.4568 23173.5511 0.0000 0.0000 45148.1329 -222459.9371 164.2365 -267608.0700 -222051.5666 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.939, 0.458716/step Wall: 206.939, 0.458716/step, 0.00764526 hours remaining, 3224.085938 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 22071.5686 20036.2369 5729.7527 186.7201 -338123.1800 23276.2479 0.0000 0.0000 44417.5462 -222405.1076 161.5788 -266822.6538 -222059.4770 161.5788 -2408.4614 -2197.9673 921491.4634 -2408.4614 -2197.9673
ENERGY: 441 22355.5490 19860.0407 5730.3488 190.1145 -338361.1709 23313.2038 0.0000 0.0000 44502.6965 -222409.2176 161.8886 -266911.9141 -222050.0857 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6120 19664.5348 5729.4854 192.9411 -338090.1527 23327.1562 0.0000 0.0000 44880.6322 -222441.7910 163.2634 -267322.4232 -222049.7752 163.2634 -2710.5579 -2229.0698 921491.4634 -2710.5579 -2229.0698
ENERGY: 443 21064.3315 19487.0721 5727.6165 194.9329 -337369.3144 23320.0152 0.0000 0.0000 45118.1111 -222457.2351 164.1273 -267575.3462 -222048.5993 164.1273 -2448.1651 -2220.3532 921491.4634 -2448.1651 -2220.3532
ENERGY: 444 20449.3362 19357.2688 5725.4095 195.8735 -336464.1915 23301.5270 0.0000 0.0000 44987.7182 -222447.0584 163.6530 -267434.7765 -222057.9793 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3909 23283.8133 0.0000 0.0000 44708.7159 -222414.7037 162.6380 -267123.4196 -222046.5423 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6806 19324.9005 5722.5430 194.3235 -335494.5705 23276.0446 0.0000 0.0000 44620.2949 -222408.7834 162.3164 -267029.0783 -222046.1616 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2850 19416.0210 5722.2107 191.8641 -335769.4399 23282.7453 0.0000 0.0000 44816.5092 -222425.8045 163.0301 -267242.3137 -222046.8338 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5922 19583.6801 5722.5765 188.5554 -336503.1802 23303.8900 0.0000 0.0000 45065.6680 -222451.2181 163.9365 -267516.8861 -222059.3476 163.9365 -2372.1879 -2303.7900 921491.4634 -2372.1879 -2303.7900
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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 21754.4856 20108.1303 5724.4776 181.0898 -338419.3254 23364.6241 0.0000 0.0000 44854.3099 -222432.2081 163.1677 -267286.5181 -222048.7856 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
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ENERGY: 452 22246.2016 20536.0138 5723.8953 174.8859 -338927.1544 23378.0943 0.0000 0.0000 44452.9198 -222415.1437 161.7075 -266868.0635 -222059.6368 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8725 20641.1313 5722.2878 173.1350 -338392.7939 23354.5907 0.0000 0.0000 44683.7037 -222418.0728 162.5470 -267101.7764 -222043.5369 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3380 20654.1375 5720.2217 172.3637 -337567.1419 23320.6902 0.0000 0.0000 45008.1468 -222443.2439 163.7273 -267451.3907 -222041.8388 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6456 23290.4025 0.0000 0.0000 45086.5790 -222451.1600 164.0126 -267537.7390 -222040.8567 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3723 20440.6800 5717.7556 173.4248 -336350.1075 23274.9633 0.0000 0.0000 44811.4725 -222438.4389 163.0118 -267249.9114 -222055.3480 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8165 23277.8277 0.0000 0.0000 44521.8705 -222403.1997 161.9583 -266925.0701 -222049.4127 161.9583 -1906.4164 -2263.5011 921491.4634 -1906.4164 -2263.5011
ENERGY: 458 20585.8435 20019.2723 5720.7061 176.6081 -336835.0960 23294.7176 0.0000 0.0000 44632.7890 -222405.1594 162.3618 -267037.9483 -222051.2817 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.114, 0.458779/step Wall: 216.114, 0.458779/step, 0.00509755 hours remaining, 3224.085938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6142 19597.9065 5728.0972 179.4910 -338014.3770 23341.8005 0.0000 0.0000 45423.8564 -222480.6112 165.2395 -267904.4676 -222064.6832 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8767 19507.1077 5732.5753 180.4333 -338251.6219 23355.3939 0.0000 0.0000 45154.6136 -222458.6215 164.2601 -267613.2351 -222058.0503 164.2601 -3556.1666 -2361.1798 921491.4634 -3556.1666 -2361.1798
ENERGY: 462 22264.2258 19487.8111 5736.4823 180.9531 -337988.7173 23351.1090 0.0000 0.0000 44559.9290 -222408.2070 162.0968 -266968.1360 -222056.7210 162.0968 -2954.8199 -2323.4250 921491.4634 -2954.8199 -2323.4250
ENERGY: 463 21821.1791 19513.9018 5738.9361 181.1160 -337284.1032 23326.9482 0.0000 0.0000 44313.4572 -222388.5648 161.2002 -266702.0220 -222054.6238 161.2002 -2012.4422 -2264.0777 921491.4634 -2012.4422 -2264.0777
ENERGY: 464 20535.2459 19559.9275 5739.2518 181.0096 -336389.3846 23291.1946 0.0000 0.0000 44654.0268 -222428.7283 162.4391 -267082.7551 -222058.5727 162.4391 -1050.9225 -2205.5268 921491.4634 -1050.9225 -2205.5268
ENERGY: 465 19322.7827 19631.8858 5737.2899 180.7155 -335701.1540 23259.7396 0.0000 0.0000 45094.5688 -222474.1718 164.0416 -267568.7405 -222052.9386 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4512 19708.3586 5733.2107 180.2808 -335443.7733 23245.0608 0.0000 0.0000 45020.7907 -222467.6204 163.7733 -267488.4111 -222052.9783 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8071 19783.1748 5727.6704 179.7757 -335721.0959 23249.4534 0.0000 0.0000 44523.6664 -222415.5480 161.9649 -266939.2145 -222054.3493 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8483 19845.4948 5721.5090 179.2779 -336451.5672 23265.8130 0.0000 0.0000 44291.6585 -222385.9658 161.1209 -266677.6243 -222056.3586 161.1209 -2508.6715 -2314.1339 921491.4634 -2508.6715 -2314.1339
ENERGY: 469 21236.3017 19910.2027 5715.6824 178.8504 -337458.3208 23284.3966 0.0000 0.0000 44720.3202 -222412.5668 162.6802 -267132.8869 -222046.0745 162.6802 -3596.7407 -2405.7972 921491.4634 -3596.7407 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1734 19972.8939 5710.9491 178.5947 -338383.2512 23297.0677 0.0000 0.0000 45346.4573 -222466.1152 164.9579 -267812.5724 -222047.6084 164.9579 -4259.6996 -2477.6830 921491.4634 -4259.6996 -2477.6830
ENERGY: 471 21732.8680 20054.6838 5707.9626 178.5890 -338913.2455 23297.5089 0.0000 0.0000 45471.3365 -222470.2966 165.4122 -267941.6331 -222047.5354 165.4122 -4290.5683 -2504.3174 921491.4634 -4290.5683 -2504.3174
ENERGY: 472 22081.2361 20161.5553 5707.0091 178.9047 -338870.6770 23279.4495 0.0000 0.0000 45028.5297 -222433.9926 163.8014 -267462.5223 -222059.5055 163.8014 -3659.7359 -2479.9183 921491.4634 -3659.7359 -2479.9183
ENERGY: 473 21866.1360 20289.3426 5707.9843 179.6165 -338307.7192 23240.7367 0.0000 0.0000 44634.5175 -222389.3856 162.3681 -267023.9032 -222043.8537 162.3681 -2556.3614 -2408.1657 921491.4634 -2556.3614 -2408.1657
ENERGY: 474 20842.9702 20372.0984 5710.2160 180.7467 -337438.4552 23189.2352 0.0000 0.0000 44733.2309 -222409.9579 162.7272 -267143.1887 -222041.2617 162.7272 -1295.5522 -2316.2727 921491.4634 -1295.5522 -2316.2727
ENERGY: 475 19674.2080 20371.7671 5712.9876 182.2512 -336604.2312 23142.3821 0.0000 0.0000 45070.2139 -222450.4213 163.9531 -267520.6352 -222039.4527 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0905 23115.8470 0.0000 0.0000 45106.0632 -222460.5860 164.0835 -267566.6492 -222053.6136 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8792 23114.2942 0.0000 0.0000 44812.3208 -222420.1373 163.0149 -267232.4581 -222044.8409 163.0149 -667.4947 -2171.8229 921491.4634 -667.4947 -2171.8229
ENERGY: 478 20493.4778 19974.7637 5721.0254 187.7262 -336537.4039 23131.2463 0.0000 0.0000 44627.0332 -222402.1313 162.3409 -267029.1645 -222047.4105 162.3409 -1807.1606 -2198.7957 921491.4634 -1807.1606 -2198.7957
ENERGY: 479 21125.3061 19793.3955 5723.3295 189.2099 -337215.5841 23156.6774 0.0000 0.0000 44802.1577 -222425.5081 162.9779 -267227.6658 -222050.5458 162.9779 -3089.8518 -2246.7919 921491.4634 -3089.8518 -2246.7919
TIMING: 480 CPU: 225.281, 0.458318/step Wall: 225.281, 0.458318/step, 0.00254621 hours remaining, 3224.085938 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 19623.1964 5725.3111 190.1901 -337854.6786 23181.5120 0.0000 0.0000 45051.6813 -222458.7547 163.8856 -267510.4360 -222064.6207 163.8856 -4077.7329 -2291.4893 921491.4634 -4077.7329 -2291.4893
ENERGY: 481 22092.4856 19510.0433 5727.0952 190.6351 -338199.2481 23196.7961 0.0000 0.0000 45041.3369 -222440.8560 163.8480 -267482.1928 -222052.5262 163.8480 -4466.2395 -2305.6734 921491.4634 -4466.2395 -2305.6734
ENERGY: 482 22186.3467 19466.6795 5728.4964 190.3598 -338044.5419 23192.7476 0.0000 0.0000 44865.8523 -222414.0597 163.2096 -267279.9120 -222051.4109 163.2096 -4059.3098 -2278.0617 921491.4634 -4059.3098 -2278.0617
ENERGY: 483 21553.1411 19511.5746 5729.5660 189.3227 -337426.2187 23165.8742 0.0000 0.0000 44861.8974 -222414.8426 163.1953 -267276.7401 -222048.7669 163.1953 -2964.1722 -2216.4117 921491.4634 -2964.1722 -2216.4117
ENERGY: 484 20460.8924 19631.1942 5730.2465 187.5455 -336590.8882 23126.1353 0.0000 0.0000 45003.6036 -222451.2708 163.7107 -267454.8744 -222059.8733 163.7107 -1565.2422 -2143.1848 921491.4634 -1565.2422 -2143.1848
ENERGY: 485 19688.7721 19800.2995 5730.5256 185.2458 -335902.5866 23092.8472 0.0000 0.0000 44955.5728 -222449.3236 163.5360 -267404.8964 -222045.9596 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5429 19954.8181 5729.7198 182.4662 -335612.3570 23080.3809 0.0000 0.0000 44645.9119 -222416.5172 162.4096 -267062.4291 -222044.6751 162.4096 87.3181 -2070.0981 921491.4634 87.3181 -2070.0981
ENERGY: 487 19881.0927 20072.0219 5727.4347 179.4360 -335846.4487 23091.0546 0.0000 0.0000 44503.3497 -222392.0590 161.8910 -266895.4086 -222045.2397 161.8910 -192.2346 -2106.8839 921491.4634 -192.2346 -2106.8839
ENERGY: 488 20125.2101 20156.1368 5723.5441 176.4338 -336552.5465 23118.8619 0.0000 0.0000 44827.0561 -222425.3038 163.0685 -267252.3599 -222057.1935 163.0685 -1145.7537 -2194.6681 921491.4634 -1145.7537 -2194.6681
ENERGY: 489 20526.8875 20236.4615 5718.5749 173.8639 -337540.4668 23156.7313 0.0000 0.0000 45266.1009 -222461.8469 164.6656 -267727.9478 -222045.6082 164.6656 -2511.2407 -2316.7068 921491.4634 -2511.2407 -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 21410.7493 20292.9026 5712.8912 171.8438 -338458.1372 23196.4880 0.0000 0.0000 45213.5634 -222459.6990 164.4745 -267673.2623 -222048.2204 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4641 20312.1363 5707.3795 170.5404 -338984.5803 23226.0940 0.0000 0.0000 44733.0095 -222404.9565 162.7264 -267137.9660 -222049.4634 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9546 20289.6812 5702.9944 170.0207 -338937.5822 23232.7209 0.0000 0.0000 44542.1958 -222387.0146 162.0323 -266929.2104 -222060.3855 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2187 20260.7374 5700.7779 170.3200 -338358.0638 23214.0541 0.0000 0.0000 45033.8237 -222420.1321 163.8207 -267453.9558 -222046.5896 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0260 5700.9806 171.2193 -337454.3840 23183.0800 0.0000 0.0000 45622.2481 -222483.4934 165.9612 -268105.7416 -222044.0863 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2465 20186.8299 5703.5926 172.5416 -336566.9892 23159.4630 0.0000 0.0000 45484.1236 -222477.1920 165.4587 -267961.3156 -222041.5558 165.4587 -1249.6837 -2407.3055 921491.4634 -1249.6837 -2407.3055
ENERGY: 496 19722.4836 20130.6470 5708.0350 174.0933 -335998.7162 23154.2642 0.0000 0.0000 44699.5275 -222409.6656 162.6046 -267109.1931 -222049.0666 162.6046 -478.8997 -2343.4750 921491.4634 -478.8997 -2343.4750
ENERGY: 497 20212.6669 20059.9174 5713.4613 175.7242 -335952.5051 23166.3552 0.0000 0.0000 44261.0294 -222363.3507 161.0095 -266624.3801 -222042.7496 161.0095 -421.0232 -2316.7927 921491.4634 -421.0232 -2316.7927
ENERGY: 498 20182.0166 19957.1213 5718.5597 177.2604 -336366.4943 23189.3593 0.0000 0.0000 44728.2541 -222413.9230 162.7091 -267142.1770 -222044.5216 162.7091 -993.4679 -2331.6471 921491.4634 -993.4679 -2331.6471
ENERGY: 499 20158.0681 19847.7307 5722.4090 178.6361 -337058.4836 23219.2412 0.0000 0.0000 45439.2650 -222493.1335 165.2956 -267932.3985 -222047.2058 165.2956 -2020.8687 -2376.3389 921491.4634 -2020.8687 -2376.3389
Info: Benchmark time: 4 CPUs 0.457926 s/step 5.30006 days/ns 3224.09 MB memory
TIMING: 500 CPU: 234.371, 0.454516/step Wall: 234.371, 0.454516/step, 0 hours remaining, 3224.085938 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 20974.8940 19756.6584 5724.4523 179.8271 -337741.4203 23251.1017 0.0000 0.0000 45359.0783 -222495.4085 165.0039 -267854.4868 -222061.0903 165.0039 -3197.5165 -2425.4139 921491.4634 -3197.5165 -2425.4139
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, 3229.344 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.344 MB of memory in use
====================================================
WallClock: 241.194733 CPUTime: 241.194733 Memory: 3229.343750 MB
[Partition 0][Node 0] End of program
Application 109835166 resources: utime ~948s, stime ~19s, Rss ~126820, inblocks ~67009, outblocks ~72240
Displaying status file:
verified
WALL=241.194733
CPU=241.194733
MEM=3229.343750
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins354048120333769609.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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