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 ============== 54.3389
LDB: Largest compute 200 load 0.428974 is 1.2% of average load 36.837680
LDB: Average compute 0.051608 is 0.1% of average load 36.837680
LDB: Partitioning computes with target load 3.683768
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055589
LDB: ============== END OF LOAD BALANCING =============== 54.341
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3419
Info: Initial time: 4 CPUs 0.47474 s/step 5.49468 days/ns 3221.46 MB memory
TIMING: 100 CPU: 48.4491, 0.47381/step Wall: 48.4491, 0.47381/step, 0.0526455 hours remaining, 3221.457031 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 ============== 63.799
LDB: ============== END OF LOAD BALANCING =============== 63.799
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7995
TIMING: 120 CPU: 57.9044, 0.472765/step Wall: 57.9044, 0.472765/step, 0.0499029 hours remaining, 3221.640625 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 21553.6087 18898.7762 5736.4508 185.0194 -334776.0139 21118.0422 0.0000 0.0000 44811.1497 -222472.9669 163.0106 -267284.1165 -222216.5366 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9956 19804.6628 5745.0872 187.0957 -335083.2646 21105.7069 0.0000 0.0000 44221.5102 -222488.2061 160.8657 -266709.7163 -222215.1806 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7010 21939.4307 5759.4053 191.1377 -334187.7139 21049.8505 0.0000 0.0000 41346.5714 -222331.6174 150.4075 -263678.1888 -222209.0244 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 136 18381.4538 21453.0792 5750.0867 193.4037 -332655.7485 21006.3294 0.0000 0.0000 43348.3540 -222523.0418 157.6894 -265871.3957 -222211.0693 157.6894 198.1851 -2776.3542 921491.4634 198.1851 -2776.3542
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3524 921491.4634 -2704.7055 -2927.3524
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TIMING: 140 CPU: 67.3536, 0.472462/step Wall: 67.3536, 0.472462/step, 0.0472462 hours remaining, 3221.910156 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: 140 20992.5977 17997.1577 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3637 921491.4634 -5617.7627 -3080.3637
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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: 150 21015.8993 19956.3836 5767.3089 192.0924 -334899.3756 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 158 21695.0847 19425.3237 5743.5667 171.3409 -332829.8100 20761.5805 0.0000 0.0000 42713.6819 -222319.2315 155.3806 -265032.9135 -222157.3220 155.3806 -715.5936 -2586.7969 921491.4634 -715.5936 -2586.7969
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TIMING: 160 CPU: 76.79, 0.471819/step Wall: 76.79, 0.471819/step, 0.0445607 hours remaining, 3222.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 160 21093.2843 18859.3045 5717.0749 174.4915 -333735.9152 20833.5472 0.0000 0.0000 44515.8595 -222542.3532 161.9365 -267058.2127 -222175.6786 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8124 18508.1492 5697.2826 183.0024 -333202.6494 20887.8857 0.0000 0.0000 43070.6066 -222342.9104 156.6790 -265413.5170 -222161.4906 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9850 18346.8657 5696.1509 188.4544 -332368.8221 20884.6196 0.0000 0.0000 43005.6961 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6891 5775.3367 206.4584 -333382.4929 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4665 20870.4071 5789.9166 204.9287 -334596.5074 20994.5723 0.0000 0.0000 43600.1910 -222488.0252 158.6055 -266088.2162 -222133.5316 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 18891.7628 5743.5896 160.0071 -332124.2129 20943.2096 0.0000 0.0000 44722.5121 -222468.0279 162.6882 -267190.5400 -222127.3371 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7901 18733.9558 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1369 -222126.1323 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.2149, 0.471242/step Wall: 86.2149, 0.471242/step, 0.0418882 hours remaining, 3222.039062 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 19424.9914 5710.5468 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5528 -222572.3092 163.2631 -267452.8620 -222144.6143 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0939 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9081 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -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 19594.9320 5717.4229 183.5644 -332319.6952 21082.8579 0.0000 0.0000 43603.6154 -222381.4363 158.6180 -265985.0518 -222096.3129 158.6180 -1480.5941 -2574.8092 921491.4634 -1480.5941 -2574.8092
ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3653 -222242.4589 154.8738 -264816.8242 -222086.7182 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2862 -222391.0323 159.7372 -266302.3185 -222090.4394 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.538
LDB: Largest compute 200 load 0.424751 is 1.2% of average load 36.654985
LDB: Average compute 0.051344 is 0.1% of average load 36.654985
LDB: TIME 101.54 LOAD: AVG 36.655 MAX 37.7385 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.41 MB
LDB: TIME 101.542 LOAD: AVG 36.655 MAX 37.6017 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.41 MB
LDB: ============== END OF LOAD BALANCING =============== 101.544
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.547
Info: Initial time: 4 CPUs 0.471887 s/step 5.46166 days/ns 3223.79 MB memory
TIMING: 200 CPU: 95.6476, 0.471636/step Wall: 95.6476, 0.471636/step, 0.039303 hours remaining, 3223.785156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6835 18595.6349 5711.8747 190.0258 -334670.2809 21209.9248 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4188 -334751.7129 21239.1341 0.0000 0.0000 43222.4694 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2003 -2661.1901 921491.4634 -4546.2003 -2661.1901
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3005 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 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2202 21188.8403 0.0000 0.0000 45629.4719 -222628.9813 165.9875 -268258.4532 -222116.7005 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2554 21197.9186 0.0000 0.0000 44690.7149 -222526.2120 162.5725 -267216.9269 -222099.8064 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8902 20170.9987 5732.9811 187.6404 -332716.3438 21241.8391 0.0000 0.0000 42439.0583 -222274.9360 154.3816 -264713.9943 -222100.3401 154.3816 -230.6570 -2488.2938 921491.4634 -230.6570 -2488.2938
ENERGY: 207 21693.8033 20338.2892 5726.5434 185.3060 -333603.9795 21289.9001 0.0000 0.0000 42143.6912 -222226.4462 153.3072 -264370.1374 -222103.0936 153.3072 -1896.3480 -2585.9683 921491.4634 -1896.3480 -2585.9683
ENERGY: 208 20293.2703 20371.8905 5718.1572 182.8654 -334789.2381 21322.2410 0.0000 0.0000 44428.6269 -222472.1869 161.6191 -266900.8138 -222122.6318 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8169 20325.0060 5710.3389 180.5135 -335910.2416 21349.5044 0.0000 0.0000 46273.6800 -222642.3819 168.3309 -268916.0620 -222106.7904 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 20194.2569 5705.3139 178.4614 -336615.7771 21385.1095 0.0000 0.0000 45251.4335 -222516.0286 164.6123 -267767.4620 -222108.2020 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7285 -222254.1132 156.5376 -265285.8417 -222106.8545 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2255 -222097.3837 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4703 -222681.1887 170.8220 -269639.6590 -222093.7409 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8919 164.7987 -267830.5664 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1786 -222248.3320 154.3930 -264690.5106 -222073.6158 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6759 21497.2705 0.0000 0.0000 41983.6749 -222225.0684 152.7251 -264208.7433 -222064.4466 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0654 -2703.9747 921491.4634 -2628.0654 -2703.9747
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TIMING: 220 CPU: 105.097, 0.472458/step Wall: 105.097, 0.472458/step, 0.0367467 hours remaining, 3223.785156 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: 114.536, 0.471984/step Wall: 114.536, 0.471984/step, 0.0340877 hours remaining, 3223.785156 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 20111.8210 5758.5348 169.0441 -335904.8194 21831.0566 0.0000 0.0000 43526.8718 -222396.7196 158.3388 -265923.5914 -222063.5736 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7066 21770.4746 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3935 5737.4544 169.6534 -334482.6010 21720.5674 0.0000 0.0000 45629.1663 -222554.1196 165.9864 -268183.2859 -222078.7773 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5947 21701.2469 0.0000 0.0000 44168.5247 -222360.5920 160.6730 -266529.1167 -222068.6368 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5483 19853.7025 5716.8932 174.1558 -334213.1207 21705.0849 0.0000 0.0000 43600.4181 -222284.3180 158.6063 -265884.7361 -222067.4298 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5288 19979.6440 5712.7400 177.5412 -334802.1844 21719.8453 0.0000 0.0000 44912.1911 -222431.6939 163.3782 -267343.8851 -222068.1396 163.3782 -983.0001 -2552.5931 921491.4634 -983.0001 -2552.5931
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1353 21746.4309 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2674 21826.9294 0.0000 0.0000 43905.3720 -222425.8458 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1805 21784.0535 0.0000 0.0000 45520.0192 -222581.3414 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
ENERGY: 254 19073.0880 19348.2295 5720.5008 195.9622 -333839.8796 21752.6522 0.0000 0.0000 45220.9196 -222528.5274 164.5013 -267749.4470 -222080.4688 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2312 19109.4101 5707.6062 196.0620 -333099.9232 21746.1514 0.0000 0.0000 43667.4212 -222349.0412 158.8501 -266016.4624 -222078.3977 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4411 18950.9577 5693.4518 195.6570 -332975.5972 21757.6846 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1872 5681.1759 194.7976 -333481.0039 21780.2418 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5866 18882.0666 5673.2911 193.6684 -334373.1544 21817.5076 0.0000 0.0000 45796.2579 -222556.7763 166.5942 -268353.0342 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.967, 0.471514/step Wall: 123.967, 0.471514/step, 0.0314343 hours remaining, 3224.089844 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 22744.9542 19188.2462 5675.1875 191.0393 -336169.7727 21924.7892 0.0000 0.0000 44083.4305 -222362.1257 160.3634 -266445.5562 -222069.6813 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
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ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1227 20140.5622 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7772 -222527.2805 164.9700 -267877.0577 -222051.1548 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9513 21907.7771 0.0000 0.0000 44751.4785 -222476.8390 162.7936 -267228.3175 -222069.1985 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8416 20681.9925 5713.6242 187.4392 -334395.6634 21906.0162 0.0000 0.0000 43607.6374 -222352.1122 158.6326 -265959.7496 -222054.3373 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7900 20788.8700 5712.1327 187.6137 -334399.4579 21914.4804 0.0000 0.0000 43399.3796 -222348.1914 157.8750 -265747.5710 -222054.3636 157.8750 -2130.7242 -2664.5957 921491.4634 -2130.7242 -2664.5957
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4857 21930.8373 0.0000 0.0000 44220.2169 -222446.1647 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4236 -2662.6784 921491.4634 -2435.4236 -2662.6784
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5378 -222504.2924 163.0557 -267327.8302 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9167 5690.3173 187.1618 -336650.6772 22028.8069 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5823 19078.8064 5690.0209 186.1610 -336571.7888 22035.2500 0.0000 0.0000 44829.4471 -222406.5212 163.0772 -267235.9683 -222066.8386 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0660 5692.8269 184.9335 -335921.4611 22015.0578 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9684 -2501.8805 921491.4634 -2551.9684 -2501.8805
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7009 21985.5295 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6857 -222069.0458 165.5264 -1837.1976 -2434.6761 921491.4634 -1837.1976 -2434.6761
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ENERGY: 276 19401.8503 19594.7507 5701.2547 182.4904 -333292.1281 21971.0408 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3454 21997.2385 0.0000 0.0000 44632.8112 -222481.8219 162.3619 -267114.6331 -222061.0989 162.3619 -2311.7546 -2498.0546 921491.4634 -2311.7546 -2498.0546
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.1003 22041.3357 0.0000 0.0000 44532.2541 -222463.7063 161.9961 -266995.9604 -222063.4132 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5800 22096.4197 0.0000 0.0000 43975.0880 -222376.7280 159.9693 -266351.8161 -222065.2025 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.382, 0.47076/step Wall: 133.382, 0.47076/step, 0.0287687 hours remaining, 3224.089844 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5380 5669.9796 186.8360 -336942.5036 22176.7652 0.0000 0.0000 45823.3372 -222526.2579 166.6927 -268349.5951 -222063.3317 166.6927 -2992.3271 -2779.3669 921491.4634 -2992.3271 -2779.3669
ENERGY: 283 20432.1059 19966.6615 5678.8137 187.1634 -336251.9203 22171.0646 0.0000 0.0000 45328.8523 -222487.2589 164.8939 -267816.1111 -222060.8461 164.8939 -2008.7736 -2748.2307 921491.4634 -2008.7736 -2748.2307
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ENERGY: 286 19396.6311 20966.5622 5721.5031 185.8229 -334658.1151 22176.6862 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1482 22200.2909 0.0000 0.0000 44282.9439 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9557 182.7335 -335468.3149 22237.9036 0.0000 0.0000 44116.9906 -222455.2377 160.4855 -266572.2283 -222066.9054 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -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 ============== 148.706
LDB: Largest compute 200 load 0.524111 is 1.1% of average load 45.768359
LDB: Average compute 0.064118 is 0.1% of average load 45.768359
LDB: TIME 148.708 LOAD: AVG 45.7684 MAX 47.159 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 148.708 LOAD: AVG 45.7684 MAX 47.159 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 148.721 LOAD: AVG 45.7684 MAX 46.2904 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 148.722
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.724
Info: Initial time: 4 CPUs 0.471264 s/step 5.45445 days/ns 3224.29 MB memory
TIMING: 300 CPU: 142.792, 0.470508/step Wall: 142.792, 0.470508/step, 0.0261393 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.027, 0.461735/step Wall: 152.027, 0.461735/step, 0.0230868 hours remaining, 3224.289062 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: 161.253, 0.461335/step Wall: 161.253, 0.461335/step, 0.0205038 hours remaining, 3224.289062 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: 170.474, 0.461008/step Wall: 170.474, 0.461008/step, 0.0179281 hours remaining, 3224.289062 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 20646.4610 20251.1596 5706.5522 182.3248 -335763.5808 22794.3770 0.0000 0.0000 43848.2756 -222334.4306 159.5080 -266182.7062 -222041.4017 159.5080 -1819.5860 -2472.4987 921491.4634 -1819.5860 -2472.4987
ENERGY: 378 20473.8100 20495.6597 5711.4639 183.2952 -336584.2285 22821.5834 0.0000 0.0000 44474.7539 -222423.6625 161.7869 -266898.4163 -222044.3971 161.7869 -2972.9874 -2523.3500 921491.4634 -2972.9874 -2523.3500
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TIMING: 380 CPU: 179.689, 0.460773/step Wall: 179.689, 0.460773/step, 0.0153591 hours remaining, 3224.289062 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 19981.2274 19220.9463 5707.6638 175.9385 -334865.1817 22880.7959 0.0000 0.0000 44519.8581 -222378.7518 161.9510 -266898.6099 -222051.0439 161.9510 122.6669 -2011.2427 921491.4634 122.6669 -2011.2427
ENERGY: 387 20367.2861 19202.4843 5710.9355 174.6759 -335109.8725 22905.2745 0.0000 0.0000 44377.1811 -222372.0351 161.4320 -266749.2162 -222053.0052 161.4320 -738.9584 -2019.1687 921491.4634 -738.9584 -2019.1687
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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 19692.8115 20133.3593 5716.9814 176.0456 -336812.3389 23014.0594 0.0000 0.0000 45592.7317 -222486.3500 165.8538 -268079.0817 -222045.7226 165.8538 -1710.2235 -2443.6964 921491.4634 -1710.2235 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.836
LDB: Largest compute 230 load 0.527428 is 1.2% of average load 45.730638
LDB: Average compute 0.064045 is 0.1% of average load 45.730638
LDB: TIME 194.837 LOAD: AVG 45.7306 MAX 46.112 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.29 MB
LDB: TIME 194.838 LOAD: AVG 45.7306 MAX 46.112 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: TIME 194.838 LOAD: AVG 45.7306 MAX 46.112 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.29 MB
LDB: ============== END OF LOAD BALANCING =============== 194.839
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.84
Info: Benchmark time: 4 CPUs 0.461065 s/step 5.3364 days/ns 3224.29 MB memory
TIMING: 400 CPU: 188.903, 0.460681/step Wall: 188.903, 0.460681/step, 0.0127967 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0478 19835.9107 5715.8942 173.8391 -338107.6290 23109.6388 0.0000 0.0000 44436.8089 -222391.4894 161.6489 -266828.2983 -222049.2230 161.6489 -4939.3791 -2681.7022 921491.4634 -4939.3791 -2681.7022
ENERGY: 403 20784.9692 19778.4826 5715.7218 174.2695 -337239.9786 23077.8412 0.0000 0.0000 45225.5954 -222483.0989 164.5183 -267708.6943 -222046.6858 164.5183 -3613.5975 -2605.7425 921491.4634 -3613.5975 -2605.7425
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ENERGY: 408 19735.8468 19387.6641 5692.2151 187.5226 -335902.8222 23017.8183 0.0000 0.0000 45394.4114 -222487.3438 165.1324 -267881.7552 -222063.5317 165.1324 -920.8279 -2294.1553 921491.4634 -920.8279 -2294.1553
ENERGY: 409 20350.1186 19376.4605 5688.4775 191.1593 -336896.6850 23057.9932 0.0000 0.0000 45733.6051 -222498.8710 166.3663 -268232.4760 -222051.6710 166.3663 -2367.4917 -2346.9323 921491.4634 -2367.4917 -2346.9323
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: 414 19987.3854 20381.5509 5705.1135 199.5118 -337122.7798 23094.4563 0.0000 0.0000 45271.6521 -222483.1098 164.6858 -267754.7619 -222052.1624 164.6858 -2501.3240 -2333.9462 921491.4634 -2501.3240 -2333.9462
ENERGY: 415 19745.2667 20572.1262 5708.7452 198.1487 -336456.1974 23071.1996 0.0000 0.0000 44733.2265 -222427.4845 162.7272 -267160.7110 -222049.0347 162.7272 -1174.6451 -2266.5614 921491.4634 -1174.6451 -2266.5614
ENERGY: 416 19942.3170 20661.9899 5710.0857 195.6953 -336157.5862 23063.1718 0.0000 0.0000 44200.2843 -222384.0421 160.7885 -266584.3264 -222052.9645 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
ENERGY: 417 20031.3748 20631.3212 5709.0493 192.4696 -336373.1075 23072.1100 0.0000 0.0000 44338.4615 -222398.3210 161.2911 -266736.7825 -222044.6993 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6646 20457.0911 5705.5847 188.6536 -336970.7866 23098.6727 0.0000 0.0000 44915.1421 -222450.9779 163.3889 -267366.1199 -222046.7093 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6054 -337717.8753 23139.8023 0.0000 0.0000 45250.3098 -222466.3613 164.6082 -267716.6711 -222049.5950 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 198.093, 0.459515/step Wall: 198.093, 0.459514/step, 0.0102114 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8981 19324.4271 5689.6736 172.2146 -337416.8946 23180.6035 0.0000 0.0000 45183.9712 -222447.1066 164.3669 -267631.0778 -222051.5235 164.3669 -3955.8308 -2434.9307 921491.4634 -3955.8308 -2434.9307
ENERGY: 424 20531.3308 19270.7813 5692.6542 170.6563 -336406.2756 23140.4640 0.0000 0.0000 45151.0455 -222449.3435 164.2471 -267600.3891 -222060.4132 164.2471 -3030.1610 -2370.2035 921491.4634 -3030.1610 -2370.2035
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ENERGY: 427 19598.5313 19595.2894 5707.1504 168.7509 -335498.4312 23074.4999 0.0000 0.0000 44915.2779 -222438.9315 163.3894 -267354.2094 -222048.7342 163.3894 -741.9011 -2207.6357 921491.4634 -741.9011 -2207.6357
ENERGY: 428 20140.4225 19760.4166 5710.4628 168.5259 -336199.9846 23087.7669 0.0000 0.0000 44884.2600 -222448.1299 163.2766 -267332.3899 -222058.0551 163.2766 -935.5733 -2206.9586 921491.4634 -935.5733 -2206.9586
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3737 5712.1700 168.1897 -338096.9201 23149.4484 0.0000 0.0000 44626.3100 -222402.4409 162.3383 -267028.7509 -222047.3918 162.3383 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
ENERGY: 431 22204.1022 20111.4154 5711.2600 168.0704 -338644.7643 23172.3796 0.0000 0.0000 44858.4632 -222419.0735 163.1828 -267277.5367 -222048.7172 163.1828 -3116.2808 -2293.5593 921491.4634 -3116.2808 -2293.5593
ENERGY: 432 21768.3701 20188.6727 5710.3547 168.1086 -338651.2099 23176.0837 0.0000 0.0000 45177.9914 -222461.6287 164.3451 -267639.6201 -222065.9060 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9068 20275.9668 5710.3763 168.4633 -338164.0635 23162.2903 0.0000 0.0000 45192.9288 -222453.1313 164.3995 -267646.0601 -222052.5984 164.3995 -3187.3734 -2272.1278 921491.4634 -3187.3734 -2272.1278
ENERGY: 434 20730.3411 20338.1504 5711.6061 169.3247 -337394.2702 23140.7728 0.0000 0.0000 44883.0999 -222420.9753 163.2724 -267304.0752 -222051.1464 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2201 20362.4019 5714.0003 170.8455 -336680.6553 23123.4090 0.0000 0.0000 44675.9838 -222398.7946 162.5190 -267074.7784 -222049.5891 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9242 20349.9984 5717.2345 173.0864 -336303.8811 23119.9072 0.0000 0.0000 44847.0983 -222425.6321 163.1414 -267272.7304 -222059.6963 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5513 20329.5094 5720.9893 175.9827 -336411.9782 23136.3862 0.0000 0.0000 45159.2688 -222455.2905 164.2770 -267614.5593 -222050.7506 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1530 20278.6095 5724.6883 179.3849 -336899.4573 23173.5515 0.0000 0.0000 45148.1324 -222459.9377 164.2365 -267608.0701 -222051.5672 164.2365 -1493.0942 -2145.0881 921491.4634 -1493.0942 -2145.0881
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TIMING: 440 CPU: 207.276, 0.459155/step Wall: 207.276, 0.459155/step, 0.00765259 hours remaining, 3224.289062 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 5729.7527 186.7202 -338123.1799 23276.2482 0.0000 0.0000 44417.5454 -222405.1081 161.5788 -266822.6535 -222059.4775 161.5788 -2408.4614 -2197.9671 921491.4634 -2408.4614 -2197.9671
ENERGY: 441 22355.5486 19860.0404 5730.3487 190.1146 -338361.1705 23313.2042 0.0000 0.0000 44502.6960 -222409.2181 161.8886 -266911.9141 -222050.0862 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6114 19664.5343 5729.4854 192.9412 -338090.1522 23327.1565 0.0000 0.0000 44880.6318 -222441.7916 163.2634 -267322.4234 -222049.7758 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3312 19487.0715 5727.6164 194.9329 -337369.3138 23320.0155 0.0000 0.0000 45118.1105 -222457.2357 164.1273 -267575.3462 -222048.5998 164.1273 -2448.1648 -2220.3531 921491.4634 -2448.1648 -2220.3531
ENERGY: 444 20449.3362 19357.2682 5725.4095 195.8735 -336464.1912 23301.5274 0.0000 0.0000 44987.7173 -222447.0591 163.6530 -267434.7765 -222057.9801 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5609 19307.2511 5723.6513 195.6942 -335759.3907 23283.8136 0.0000 0.0000 44708.7151 -222414.7045 162.6380 -267123.4196 -222046.5432 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9000 5722.5429 194.3235 -335494.5705 23276.0449 0.0000 0.0000 44620.2944 -222408.7842 162.3164 -267029.0786 -222046.1624 162.3164 -1800.7519 -2216.7294 921491.4634 -1800.7519 -2216.7294
ENERGY: 447 19914.2847 19416.0207 5722.2107 191.8641 -335769.4401 23282.7456 0.0000 0.0000 44816.5090 -222425.8053 163.0301 -267242.3143 -222046.8346 163.0301 -1993.3114 -2253.0604 921491.4634 -1993.3114 -2253.0604
ENERGY: 448 20187.5921 19583.6800 5722.5764 188.5554 -336503.1806 23303.8903 0.0000 0.0000 45065.6676 -222451.2189 163.9365 -267516.8864 -222059.3484 163.9365 -2372.1880 -2303.7899 921491.4634 -2372.1880 -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 20108.1304 5724.4776 181.0898 -338419.3262 23364.6242 0.0000 0.0000 44854.3097 -222432.2090 163.1677 -267286.5187 -222048.7864 163.1677 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5902 20357.7260 5724.7144 177.6517 -338952.0923 23381.8006 0.0000 0.0000 44542.6990 -222411.9104 162.0341 -266954.6094 -222048.8250 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2012 20536.0140 5723.8953 174.8859 -338927.1553 23378.0943 0.0000 0.0000 44452.9201 -222415.1444 161.7075 -266868.0646 -222059.6375 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8725 20641.1316 5722.2878 173.1350 -338392.7949 23354.5907 0.0000 0.0000 44683.7038 -222418.0735 162.5470 -267101.7773 -222043.5376 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3382 20654.1378 5720.2217 172.3637 -337567.1428 23320.6901 0.0000 0.0000 45008.1467 -222443.2446 163.7273 -267451.3913 -222041.8396 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7907 20584.7123 5718.4844 172.5169 -336790.6464 23290.4024 0.0000 0.0000 45086.5789 -222451.1608 164.0126 -267537.7397 -222040.8575 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4249 -336350.1086 23274.9632 0.0000 0.0000 44811.4727 -222438.4401 163.0118 -267249.9128 -222055.3492 163.0118 -1305.5005 -2245.5825 921491.4634 -1305.5005 -2245.5825
ENERGY: 457 20047.4927 20251.9435 5718.5580 174.9241 -336395.8173 23277.8275 0.0000 0.0000 44521.8705 -222403.2009 161.9583 -266925.0714 -222049.4139 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8435 20019.2721 5720.7060 176.6081 -336835.0964 23294.7174 0.0000 0.0000 44632.7887 -222405.1605 162.3618 -267037.9492 -222051.2828 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
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TIMING: 460 CPU: 216.455, 0.458937/step Wall: 216.455, 0.458937/step, 0.0050993 hours remaining, 3224.289062 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 21262.6141 19597.9059 5728.0971 179.4910 -338014.3764 23341.8002 0.0000 0.0000 45423.8560 -222480.6121 165.2395 -267904.4680 -222064.6840 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
ENERGY: 461 21862.8763 19507.1069 5732.5753 180.4333 -338251.6210 23355.3936 0.0000 0.0000 45154.6133 -222458.6224 164.2601 -267613.2357 -222058.0511 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2254 19487.8102 5736.4822 180.9531 -337988.7163 23351.1087 0.0000 0.0000 44559.9287 -222408.2079 162.0968 -266968.1366 -222056.7218 162.0968 -2954.8200 -2323.4251 921491.4634 -2954.8200 -2323.4251
ENERGY: 463 21821.1790 19513.9008 5738.9361 181.1160 -337284.1021 23326.9479 0.0000 0.0000 44313.4566 -222388.5657 161.2002 -266702.0223 -222054.6246 161.2002 -2012.4424 -2264.0778 921491.4634 -2012.4424 -2264.0778
ENERGY: 464 20535.2460 19559.9265 5739.2518 181.0096 -336389.3834 23291.1943 0.0000 0.0000 44654.0262 -222428.7289 162.4391 -267082.7552 -222058.5734 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7826 19631.8848 5737.2899 180.7155 -335701.1530 23259.7393 0.0000 0.0000 45094.5684 -222474.1725 164.0416 -267568.7409 -222052.9393 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4508 19708.3578 5733.2107 180.2808 -335443.7725 23245.0605 0.0000 0.0000 45020.7907 -222467.6212 163.7733 -267488.4118 -222052.9790 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8068 19783.1742 5727.6704 179.7757 -335721.0955 23249.4532 0.0000 0.0000 44523.6665 -222415.5488 161.9649 -266939.2152 -222054.3500 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8482 19845.4945 5721.5089 179.2779 -336451.5676 23265.8128 0.0000 0.0000 44291.6584 -222385.9669 161.1209 -266677.6253 -222056.3597 161.1209 -2508.6717 -2314.1341 921491.4634 -2508.6717 -2314.1341
ENERGY: 469 21236.3017 19910.2027 5715.6824 178.8504 -337458.3215 23284.3964 0.0000 0.0000 44720.3201 -222412.5679 162.6802 -267132.8879 -222046.0757 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 21411.1731 19972.8941 5710.9491 178.5947 -338383.2524 23297.0675 0.0000 0.0000 45346.4575 -222466.1163 164.9579 -267812.5738 -222047.6095 164.9579 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8676 20054.6843 5707.9626 178.5890 -338913.2471 23297.5088 0.0000 0.0000 45471.3370 -222470.2977 165.4122 -267941.6347 -222047.5366 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2360 20161.5559 5707.0091 178.9047 -338870.6786 23279.4495 0.0000 0.0000 45028.5301 -222433.9934 163.8014 -267462.5235 -222059.5063 163.8014 -3659.7361 -2479.9185 921491.4634 -3659.7361 -2479.9185
ENERGY: 473 21866.1362 20289.3433 5707.9843 179.6165 -338307.7211 23240.7367 0.0000 0.0000 44634.5177 -222389.3863 162.3681 -267023.9040 -222043.8544 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9705 20372.0992 5710.2160 180.7466 -337438.4572 23189.2353 0.0000 0.0000 44733.2309 -222409.9586 162.7272 -267143.1895 -222041.2624 162.7272 -1295.5524 -2316.2729 921491.4634 -1295.5524 -2316.2729
ENERGY: 475 19674.2080 20371.7679 5712.9876 182.2512 -336604.2332 23142.3823 0.0000 0.0000 45070.2141 -222450.4221 163.9531 -267520.6362 -222039.4534 163.9531 -344.6449 -2232.2126 921491.4634 -344.6449 -2232.2126
ENERGY: 476 19235.7861 20282.0278 5715.7683 184.0125 -336100.0920 23115.8472 0.0000 0.0000 45106.0635 -222460.5866 164.0835 -267566.6501 -222053.6142 164.0835 -92.4049 -2183.0652 921491.4634 -92.4049 -2183.0652
ENERGY: 477 19704.7250 20145.9815 5718.4976 185.9230 -336101.8804 23114.2945 0.0000 0.0000 44812.3208 -222420.1379 163.0149 -267232.4587 -222044.8416 163.0149 -667.4946 -2171.8228 921491.4634 -667.4946 -2171.8228
ENERGY: 478 20493.4778 19974.7638 5721.0254 187.7262 -336537.4047 23131.2466 0.0000 0.0000 44627.0330 -222402.1319 162.3409 -267029.1649 -222047.4111 162.3409 -1807.1604 -2198.7955 921491.4634 -1807.1604 -2198.7955
ENERGY: 479 21125.3059 19793.3953 5723.3295 189.2099 -337215.5845 23156.6778 0.0000 0.0000 44802.1574 -222425.5087 162.9779 -267227.6661 -222050.5464 162.9779 -3089.8515 -2246.7916 921491.4634 -3089.8515 -2246.7916
TIMING: 480 CPU: 225.632, 0.458882/step Wall: 225.632, 0.458882/step, 0.00254935 hours remaining, 3224.289062 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 21624.0326 19623.1960 5725.3111 190.1901 -337854.6789 23181.5125 0.0000 0.0000 45051.6811 -222458.7556 163.8856 -267510.4367 -222064.6215 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4851 19510.0427 5727.0953 190.6351 -338199.2482 23196.7965 0.0000 0.0000 45041.3365 -222440.8569 163.8480 -267482.1934 -222052.5271 163.8480 -4466.2394 -2305.6732 921491.4634 -4466.2394 -2305.6732
ENERGY: 482 22186.3466 19466.6788 5728.4964 190.3598 -338044.5417 23192.7481 0.0000 0.0000 44865.8515 -222414.0606 163.2096 -267279.9121 -222051.4118 163.2096 -4059.3097 -2278.0615 921491.4634 -4059.3097 -2278.0615
ENERGY: 483 21553.1413 19511.5739 5729.5660 189.3227 -337426.2184 23165.8747 0.0000 0.0000 44861.8963 -222414.8435 163.1952 -267276.7398 -222048.7678 163.1952 -2964.1721 -2216.4115 921491.4634 -2964.1721 -2216.4115
ENERGY: 484 20460.8925 19631.1934 5730.2465 187.5455 -336590.8885 23126.1358 0.0000 0.0000 45003.6025 -222451.2723 163.7107 -267454.8748 -222059.8748 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7719 19800.2989 5730.5256 185.2458 -335902.5869 23092.8476 0.0000 0.0000 44955.5719 -222449.3252 163.5360 -267404.8971 -222045.9612 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5425 19954.8176 5729.7198 182.4662 -335612.3573 23080.3813 0.0000 0.0000 44645.9111 -222416.5188 162.4096 -267062.4299 -222044.6766 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0925 20072.0215 5727.4348 179.4360 -335846.4489 23091.0549 0.0000 0.0000 44503.3487 -222392.0605 161.8910 -266895.4093 -222045.2413 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2100 20156.1366 5723.5441 176.4338 -336552.5462 23118.8620 0.0000 0.0000 44827.0550 -222425.3047 163.0685 -267252.3596 -222057.1944 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8873 20236.4614 5718.5749 173.8639 -337540.4666 23156.7313 0.0000 0.0000 45266.0999 -222461.8478 164.6656 -267727.9477 -222045.6091 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 21410.7489 20292.9028 5712.8912 171.8438 -338458.1372 23196.4880 0.0000 0.0000 45213.5627 -222459.6999 164.4745 -267673.2626 -222048.2213 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4637 20312.1367 5707.3795 170.5404 -338984.5805 23226.0939 0.0000 0.0000 44733.0089 -222404.9574 162.7264 -267137.9663 -222049.4644 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9545 20289.6817 5702.9945 170.0208 -338937.5822 23232.7206 0.0000 0.0000 44542.1950 -222387.0153 162.0323 -266929.2103 -222060.3862 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2187 20260.7380 5700.7779 170.3200 -338358.0638 23214.0536 0.0000 0.0000 45033.8227 -222420.1327 163.8207 -267453.9554 -222046.5902 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3366 20225.0267 5700.9806 171.2193 -337454.3838 23183.0794 0.0000 0.0000 45622.2472 -222483.4941 165.9612 -268105.7413 -222044.0869 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8305 5703.5926 172.5416 -336566.9887 23159.4623 0.0000 0.0000 45484.1229 -222477.1927 165.4587 -267961.3156 -222041.5565 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4831 20130.6474 5708.0350 174.0933 -335998.7158 23154.2633 0.0000 0.0000 44699.5270 -222409.6666 162.6046 -267109.1936 -222049.0676 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5043 23166.3542 0.0000 0.0000 44261.0287 -222363.3517 161.0095 -266624.3804 -222042.7507 161.0095 -421.0234 -2316.7930 921491.4634 -421.0234 -2316.7930
ENERGY: 498 20182.0166 19957.1211 5718.5597 177.2604 -336366.4932 23189.3582 0.0000 0.0000 44728.2533 -222413.9240 162.7091 -267142.1772 -222044.5226 162.7091 -993.4682 -2331.6474 921491.4634 -993.4682 -2331.6474
ENERGY: 499 20158.0680 19847.7301 5722.4089 178.6361 -337058.4822 23219.2400 0.0000 0.0000 45439.2644 -222493.1345 165.2956 -267932.3989 -222047.2069 165.2956 -2020.8690 -2376.3392 921491.4634 -2020.8690 -2376.3392
Info: Benchmark time: 4 CPUs 0.458311 s/step 5.30453 days/ns 3224.29 MB memory
TIMING: 500 CPU: 234.734, 0.455075/step Wall: 234.734, 0.455075/step, 0 hours remaining, 3224.289062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6575 5724.4523 179.8271 -337741.4188 23251.1005 0.0000 0.0000 45359.0781 -222495.4096 165.0039 -267854.4877 -222061.0914 165.0039 -3197.5169 -2425.4142 921491.4634 -3197.5169 -2425.4142
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, 3230.094 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.094 MB of memory in use
====================================================
WallClock: 241.556473 CPUTime: 241.556473 Memory: 3230.093750 MB
[Partition 0][Node 0] End of program
Application 109973935 resources: utime ~949s, stime ~20s, Rss ~127660, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.556473
CPU=241.556473
MEM=3230.093750
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins17716402094999641633.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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