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 ============== 54.2629
LDB: Largest compute 200 load 0.428299 is 1.2% of average load 36.767190
LDB: Average compute 0.051494 is 0.1% of average load 36.767190
LDB: Partitioning computes with target load 3.676719
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.054997
LDB: ============== END OF LOAD BALANCING =============== 54.265
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2659
Info: Initial time: 4 CPUs 0.474194 s/step 5.48836 days/ns 3221.46 MB memory
TIMING: 100 CPU: 48.3927, 0.473161/step Wall: 48.3927, 0.473161/step, 0.0525734 hours remaining, 3221.464844 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 ============== 63.7116
LDB: ============== END OF LOAD BALANCING =============== 63.7117
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7122
TIMING: 120 CPU: 57.8373, 0.472233/step Wall: 57.8373, 0.472233/step, 0.0498468 hours remaining, 3221.609375 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: 140 CPU: 67.2752, 0.471892/step Wall: 67.2752, 0.471892/step, 0.0471892 hours remaining, 3221.925781 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: 150 21015.8992 19956.3835 5767.3089 192.0924 -334899.3754 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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TIMING: 160 CPU: 76.7011, 0.471296/step Wall: 76.7011, 0.471296/step, 0.0445113 hours remaining, 3222.089844 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: 160 21093.2843 18859.3045 5717.0749 174.4916 -333735.9155 20833.5471 0.0000 0.0000 44515.8596 -222542.3535 161.9365 -267058.2130 -222175.6788 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8126 18508.1493 5697.2826 183.0024 -333202.6499 20887.8856 0.0000 0.0000 43070.6067 -222342.9106 156.6790 -265413.5173 -222161.4908 156.6790 -5004.1556 -2859.8871 921491.4634 -5004.1556 -2859.8871
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ENERGY: 168 21619.4179 19999.6890 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9903 -2933.5976 921491.4634 -1735.9903 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1037 18891.7628 5743.5896 160.0071 -332124.2125 20943.2095 0.0000 0.0000 44722.5119 -222468.0279 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3219 -2727.5043 921491.4634 -2658.3219 -2727.5043
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ENERGY: 178 21917.7898 18733.9558 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1544 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.1175, 0.47082/step Wall: 86.1175, 0.47082/step, 0.0418506 hours remaining, 3222.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9083 21042.4479 0.0000 0.0000 44880.5528 -222572.3093 163.2631 -267452.8621 -222144.6144 163.2631 -1576.6176 -2645.2275 921491.4634 -1576.6176 -2645.2275
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ENERGY: 186 19266.0405 19234.9572 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2966 19471.4304 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0056 -222222.0803 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -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: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2862 -222391.0322 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.411
LDB: Largest compute 200 load 0.423313 is 1.2% of average load 36.585503
LDB: Average compute 0.051235 is 0.1% of average load 36.585503
LDB: TIME 101.413 LOAD: AVG 36.5855 MAX 37.6985 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.415 LOAD: AVG 36.5855 MAX 37.591 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.417
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.42
Info: Initial time: 4 CPUs 0.471395 s/step 5.45596 days/ns 3223.77 MB memory
TIMING: 200 CPU: 95.5421, 0.471232/step Wall: 95.5421, 0.471232/step, 0.0392693 hours remaining, 3223.769531 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 21073.6837 18595.6350 5711.8747 190.0258 -334670.2810 21209.9247 0.0000 0.0000 45319.1599 -222569.9772 164.8586 -267889.1371 -222114.5245 164.8586 -5241.8526 -2703.6812 921491.4634 -5241.8526 -2703.6812
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ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6235 -222096.8291 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8944 19130.0391 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4718 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2550 21197.9185 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8062 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8030 20338.2891 5726.5434 185.3060 -333603.9790 21289.9000 0.0000 0.0000 42143.6913 -222226.4461 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2702 20371.8903 5718.1572 182.8654 -334789.2378 21322.2409 0.0000 0.0000 44428.6269 -222472.1868 161.6191 -266900.8138 -222122.6317 161.6191 -3669.0643 -2719.7953 921491.4634 -3669.0643 -2719.7953
ENERGY: 209 19428.8170 20325.0058 5710.3389 180.5135 -335910.2413 21349.5043 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0619 -222106.7904 168.3309 -5197.7275 -2836.6307 921491.4634 -5197.7275 -2836.6307
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7768 21385.1095 0.0000 0.0000 45251.4334 -222516.0285 164.6123 -267767.4619 -222108.2019 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
ENERGY: 211 24099.1928 19985.8630 5704.9373 176.9105 -336667.8927 21415.1476 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2979 -2885.1011 921491.4634 -5900.2979 -2885.1011
ENERGY: 212 23739.2709 19730.8220 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7030 156.4046 -265244.8668 -222104.2322 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5247 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7806 -222504.4451 165.2210 -267923.2256 -222097.3838 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3936 21358.4484 0.0000 0.0000 46958.4702 -222681.1889 170.8220 -269639.6590 -222093.7411 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3322 21379.5595 0.0000 0.0000 45302.6745 -222527.8920 164.7987 -267830.5665 -222091.0451 164.7987 784.0014 -2554.0369 921491.4634 784.0014 -2554.0369
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1787 -222248.3321 154.3930 -264690.5108 -222073.6159 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6759 21497.2704 0.0000 0.0000 41983.6750 -222225.0686 152.7251 -264208.7436 -222064.4468 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1150 21546.6560 0.0000 0.0000 44178.6836 -222478.5364 160.7099 -266657.2200 -222068.8158 160.7099 -2628.0653 -2703.9747 921491.4634 -2628.0653 -2703.9747
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0712 21596.8807 0.0000 0.0000 45751.9298 -222644.4011 166.4329 -268396.3308 -222073.1723 166.4329 -4457.7333 -2810.5238 921491.4634 -4457.7333 -2810.5238
TIMING: 220 CPU: 104.976, 0.47167/step Wall: 104.976, 0.47167/step, 0.0366854 hours remaining, 3223.769531 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: 220 21580.9145 19260.1136 5743.1672 189.1021 -335473.8434 21655.3183 0.0000 0.0000 44539.5740 -222505.6537 162.0227 -267045.2277 -222092.6291 162.0227 -5898.3512 -2876.6577 921491.4634 -5898.3512 -2876.6577
ENERGY: 221 24234.7391 19146.8279 5730.1601 190.4777 -335718.7277 21699.4243 0.0000 0.0000 42467.0191 -222250.0795 154.4833 -264717.0986 -222077.7837 154.4833 -6342.7098 -2884.3552 921491.4634 -6342.7098 -2884.3552
ENERGY: 222 23735.1223 19085.7308 5717.7679 191.2893 -335388.9916 21700.3076 0.0000 0.0000 42702.0391 -222256.7345 155.3383 -264958.7736 -222075.6640 155.3383 -5368.7279 -2838.7017 921491.4634 -5368.7279 -2838.7017
ENERGY: 223 20286.4335 19110.8427 5708.3528 191.5579 -334633.3915 21665.5241 0.0000 0.0000 45168.7533 -222501.9272 164.3115 -267670.6805 -222072.2459 164.3115 -3322.8076 -2753.9475 921491.4634 -3322.8076 -2753.9475
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ENERGY: 227 21011.1675 20670.4532 5712.3895 189.0770 -334317.7220 21728.2283 0.0000 0.0000 42721.7944 -222284.6121 155.4101 -265006.4065 -222080.2099 155.4101 -104.6490 -2553.6074 921491.4634 -104.6490 -2553.6074
ENERGY: 228 19866.2928 21035.8343 5716.6482 188.0081 -335312.4267 21761.2923 0.0000 0.0000 44242.5385 -222501.8125 160.9422 -266744.3510 -222102.7894 160.9422 -1440.0183 -2625.9673 921491.4634 -1440.0183 -2625.9673
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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: 230 21999.2455 20926.2536 5717.1889 185.9786 -336838.6564 21834.6450 0.0000 0.0000 43751.0552 -222424.2895 159.1543 -266175.3447 -222088.6911 159.1543 -4902.3781 -2766.0558 921491.4634 -4902.3781 -2766.0558
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ENERGY: 232 22812.6530 19886.6600 5707.7133 183.7520 -336072.1013 21820.0135 0.0000 0.0000 43315.5693 -222345.7401 157.5701 -265661.3094 -222098.2754 157.5701 -5301.5937 -2731.4985 921491.4634 -5301.5937 -2731.4985
ENERGY: 233 20035.6404 19318.2042 5703.4910 182.6157 -334889.2828 21760.7376 0.0000 0.0000 45350.0987 -222538.4953 164.9712 -267888.5940 -222089.6822 164.9712 -3899.2116 -2646.7386 921491.4634 -3899.2116 -2646.7386
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ENERGY: 236 20566.0776 18629.1001 5714.2865 178.3391 -332585.8847 21721.5012 0.0000 0.0000 43477.4012 -222299.1789 158.1588 -265776.5801 -222073.0121 158.1588 -108.6482 -2371.7043 921491.4634 -108.6482 -2371.7043
ENERGY: 237 20196.0057 18940.2031 5726.8243 176.7459 -333068.3186 21749.0156 0.0000 0.0000 43898.3779 -222381.1461 159.6902 -266279.5240 -222063.3607 159.6902 -172.1587 -2373.2012 921491.4634 -172.1587 -2373.2012
ENERGY: 238 19419.4412 19404.0885 5740.6977 175.0128 -333964.3153 21778.9043 0.0000 0.0000 44901.2436 -222544.9272 163.3384 -267446.1708 -222065.9780 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
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TIMING: 240 CPU: 114.402, 0.471347/step Wall: 114.402, 0.471347/step, 0.0340417 hours remaining, 3223.769531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0420 20119.9136 5760.6910 171.4213 -335766.3623 21854.4253 0.0000 0.0000 42641.4774 -222357.3916 155.1180 -264998.8691 -222074.0950 155.1180 -3844.9083 -2568.3894 921491.4634 -3844.9083 -2568.3894
ENERGY: 241 23920.0053 20195.4874 5762.7124 169.9828 -336129.3249 21865.1032 0.0000 0.0000 41957.8934 -222258.1404 152.6313 -264216.0338 -222063.9155 152.6313 -4724.4490 -2616.3452 921491.4634 -4724.4490 -2616.3452
ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8192 21831.0568 0.0000 0.0000 43526.8718 -222396.7192 158.3388 -265923.5910 -222063.5733 158.3388 -4623.1687 -2633.0912 921491.4634 -4623.1687 -2633.0912
ENERGY: 243 19462.3620 19969.6446 5749.3615 168.8705 -335233.7063 21770.4748 0.0000 0.0000 45537.0688 -222575.9242 165.6513 -268112.9930 -222061.6671 165.6513 -3760.4503 -2614.6991 921491.4634 -3760.4503 -2614.6991
ENERGY: 244 18822.2464 19849.3934 5737.4545 169.6534 -334482.6008 21720.5677 0.0000 0.0000 45629.1660 -222554.1194 165.9864 -268183.2855 -222078.7771 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5944 21701.2471 0.0000 0.0000 44168.5246 -222360.5918 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5480 19853.7023 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6438 5712.7400 177.5412 -334802.1840 21719.8455 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8848 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4294 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9361 -222595.6868 168.0117 -268781.6229 -222090.3130 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3305 20353.6191 5719.1623 185.0800 -336433.0067 21788.9034 0.0000 0.0000 45370.8151 -222531.0962 165.0466 -267901.9113 -222082.9714 165.0466 -2308.0286 -2671.2385 921491.4634 -2308.0286 -2671.2385
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2057 20422.5254 5726.1009 188.5682 -336907.4410 21832.9290 0.0000 0.0000 43252.1658 -222329.9460 157.3395 -265582.1118 -222084.2881 157.3395 -3365.2096 -2722.3879 921491.4634 -3365.2096 -2722.3879
ENERGY: 251 24002.1398 20302.5994 5731.6573 191.5295 -336816.8449 21849.8673 0.0000 0.0000 42475.2392 -222263.8123 154.5132 -264739.0515 -222084.8992 154.5132 -3958.0339 -2753.0723 921491.4634 -3958.0339 -2753.0723
ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3720 -222425.8459 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1808 21784.0537 0.0000 0.0000 45520.0191 -222581.3415 165.5893 -268101.3605 -222082.7208 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
ENERGY: 254 19073.0881 19348.2296 5720.5008 195.9622 -333839.8800 21752.6525 0.0000 0.0000 45220.9194 -222528.5274 164.5013 -267749.4469 -222080.4689 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9236 21746.1516 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4625 -222078.3978 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5975 21757.6848 0.0000 0.0000 43181.1612 -222297.2440 157.0812 -265478.4052 -222071.2741 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0042 21780.2420 0.0000 0.0000 44488.5468 -222428.4893 161.8371 -266917.0361 -222060.1686 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1548 21817.5078 0.0000 0.0000 45796.2578 -222556.7764 166.5942 -268353.0342 -222062.0610 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7709 18984.1030 5671.3007 192.3773 -335369.5281 21871.0066 0.0000 0.0000 45431.1555 -222501.8141 165.2661 -267932.9695 -222063.7308 165.2661 -2890.3670 -2780.4961 921491.4634 -2890.3670 -2780.4961
TIMING: 260 CPU: 123.822, 0.470961/step Wall: 123.822, 0.470961/step, 0.0313974 hours remaining, 3224.074219 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 19188.2463 5675.1875 191.0393 -336169.7730 21924.7893 0.0000 0.0000 44083.4305 -222362.1257 160.3634 -266445.5563 -222069.6814 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5572 19485.4656 5683.6413 189.7700 -336523.9801 21953.3902 0.0000 0.0000 43676.0233 -222320.1324 158.8814 -265996.1557 -222052.8237 158.8814 -3555.3694 -2822.8648 921491.4634 -3555.3694 -2822.8648
ENERGY: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7859 21947.6074 0.0000 0.0000 44601.6344 -222438.8161 162.2485 -267040.4505 -222052.4324 162.2485 -3214.7560 -2810.4636 921491.4634 -3214.7560 -2810.4636
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7769 -222527.2805 164.9700 -267877.0574 -222051.1548 164.9700 -2647.8115 -2773.3902 921491.4634 -2647.8115 -2773.3902
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4781 -222476.8391 162.7936 -267228.3173 -222069.1986 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8414 20681.9925 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6372 -222352.1123 158.6326 -265959.7495 -222054.3374 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8699 5712.1327 187.6137 -334399.4575 21914.4805 0.0000 0.0000 43399.3795 -222348.1915 157.8750 -265747.5709 -222054.3637 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2676 5707.0583 187.8501 -334831.4853 21930.8374 0.0000 0.0000 44220.2166 -222446.1649 160.8610 -266666.3814 -222055.6587 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9160 20375.7513 5700.1930 187.9286 -335513.7445 21959.1257 0.0000 0.0000 44823.5374 -222504.2925 163.0557 -267327.8299 -222075.9876 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -2658.6180
ENERGY: 269 21396.7812 19927.1700 5694.0390 187.7639 -336221.0657 21997.2160 0.0000 0.0000 44586.5097 -222431.5859 162.1935 -267018.0956 -222066.1974 162.1935 -3401.4128 -2647.2949 921491.4634 -3401.4128 -2647.2949
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 19450.9165 5690.3173 187.1618 -336650.6770 22028.8070 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2812 -222067.0435 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
ENERGY: 271 22345.5822 19078.8063 5690.0209 186.1610 -336571.7888 22035.2501 0.0000 0.0000 44829.4471 -222406.5212 163.0772 -267235.9683 -222066.8387 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5584 18896.0660 5692.8269 184.9335 -335921.4613 22015.0579 0.0000 0.0000 45607.7074 -222503.3112 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7159 -222499.9697 165.5264 -268002.6856 -222069.0461 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
ENERGY: 274 20074.7416 19121.4862 5701.6806 183.0070 -333931.6257 21965.2976 0.0000 0.0000 44478.5174 -222406.8954 161.8006 -266885.4128 -222066.8030 161.8006 -1366.5213 -2384.6634 921491.4634 -1366.5213 -2384.6634
ENERGY: 275 20005.4316 19374.0681 5703.3424 182.5376 -333318.5604 21960.8298 0.0000 0.0000 43741.9682 -222350.3826 159.1213 -266092.3508 -222065.7694 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1279 21971.0409 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7410 -222072.9393 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7161 5695.5210 182.9396 -333864.3451 21997.2386 0.0000 0.0000 44632.8111 -222481.8216 162.3619 -267114.6327 -222061.0986 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4576 19713.7761 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4129 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5798 22096.4198 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2022 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.223, 0.470069/step Wall: 133.223, 0.470069/step, 0.0287264 hours remaining, 3224.074219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3229 19458.4367 5670.0026 185.3899 -336752.6632 22145.1353 0.0000 0.0000 44066.7339 -222367.6419 160.3027 -266434.3758 -222073.4247 160.3027 -4286.3893 -2748.0547 921491.4634 -4286.3893 -2748.0547
ENERGY: 281 22172.5958 19445.1183 5667.0588 186.2206 -337154.6802 22172.1191 0.0000 0.0000 45063.2423 -222448.3253 163.9277 -267511.5676 -222064.8519 163.9277 -3881.2952 -2782.5903 921491.4634 -3881.2952 -2782.5903
ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5034 22176.7653 0.0000 0.0000 45823.3370 -222526.2578 166.6927 -268349.5947 -222063.3316 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9200 22171.0647 0.0000 0.0000 45328.8520 -222487.2587 164.8939 -267816.1107 -222060.8460 164.8939 -2008.7737 -2748.2306 921491.4634 -2008.7737 -2748.2306
ENERGY: 284 20506.3999 20401.8821 5692.0830 187.1346 -335412.6299 22166.2909 0.0000 0.0000 44071.4480 -222387.3915 160.3198 -266458.8395 -222061.5541 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6308 20966.5621 5721.5031 185.8229 -334658.1147 22176.6862 0.0000 0.0000 43785.6881 -222425.2213 159.2803 -266210.9094 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7821 5731.9346 184.4714 -334918.1477 22200.2909 0.0000 0.0000 44282.9437 -222485.6060 161.0892 -266768.5497 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2850 5736.9557 182.7335 -335468.3145 22237.9036 0.0000 0.0000 44116.9903 -222455.2376 160.4855 -266572.2280 -222066.9054 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.513
LDB: Largest compute 200 load 0.519786 is 1.1% of average load 45.693135
LDB: Average compute 0.064003 is 0.1% of average load 45.693135
LDB: TIME 148.515 LOAD: AVG 45.6931 MAX 47.093 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 148.515 LOAD: AVG 45.6931 MAX 47.093 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 148.529 LOAD: AVG 45.6931 MAX 46.2131 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 148.53
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.532
Info: Initial time: 4 CPUs 0.47062 s/step 5.44699 days/ns 3224.27 MB memory
TIMING: 300 CPU: 142.623, 0.470006/step Wall: 142.623, 0.470006/step, 0.0261114 hours remaining, 3224.273438 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: 151.841, 0.460885/step Wall: 151.841, 0.460885/step, 0.0230443 hours remaining, 3224.273438 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: 161.053, 0.4606/step Wall: 161.053, 0.4606/step, 0.0204711 hours remaining, 3224.273438 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: 170.258, 0.460263/step Wall: 170.258, 0.460263/step, 0.0178991 hours remaining, 3224.273438 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: 378 20473.8099 20495.6596 5711.4639 183.2952 -336584.2281 22821.5838 0.0000 0.0000 44474.7535 -222423.6622 161.7869 -266898.4157 -222044.3969 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.458, 0.459991/step Wall: 179.458, 0.459991/step, 0.015333 hours remaining, 3224.273438 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 19220.9462 5707.6638 175.9384 -334865.1819 22880.7959 0.0000 0.0000 44519.8584 -222378.7519 161.9510 -266898.6103 -222051.0440 161.9510 122.6669 -2011.2427 921491.4634 122.6669 -2011.2427
ENERGY: 387 20367.2860 19202.4842 5710.9355 174.6759 -335109.8726 22905.2745 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2166 -222053.0053 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
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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 ============== 194.571
LDB: Largest compute 230 load 0.526468 is 1.2% of average load 45.654782
LDB: Average compute 0.063924 is 0.1% of average load 45.654782
LDB: TIME 194.572 LOAD: AVG 45.6548 MAX 46.0389 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.27 MB
LDB: TIME 194.573 LOAD: AVG 45.6548 MAX 46.0389 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: TIME 194.573 LOAD: AVG 45.6548 MAX 46.0389 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.27 MB
LDB: ============== END OF LOAD BALANCING =============== 194.574
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.574
Info: Benchmark time: 4 CPUs 0.460326 s/step 5.32785 days/ns 3224.27 MB memory
TIMING: 400 CPU: 188.66, 0.460095/step Wall: 188.66, 0.460095/step, 0.0127804 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0479 19835.9108 5715.8942 173.8391 -338107.6287 23109.6376 0.0000 0.0000 44436.8099 -222391.4891 161.6489 -266828.2991 -222049.2227 161.6489 -4939.3795 -2681.7026 921491.4634 -4939.3795 -2681.7026
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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: 416 19942.3168 20661.9896 5710.0857 195.6953 -336157.5862 23063.1711 0.0000 0.0000 44200.2851 -222384.0425 160.7885 -266584.3276 -222052.9648 160.7885 -282.7616 -2224.6898 921491.4634 -282.7616 -2224.6898
ENERGY: 417 20031.3749 20631.3209 5709.0493 192.4696 -336373.1074 23072.1095 0.0000 0.0000 44338.4620 -222398.3213 161.2911 -266736.7833 -222044.6997 161.2911 -112.4555 -2227.1701 921491.4634 -112.4555 -2227.1701
ENERGY: 418 20154.6647 20457.0908 5705.5847 188.6536 -336970.7865 23098.6722 0.0000 0.0000 44915.1422 -222450.9782 163.3889 -267366.1204 -222046.7097 163.3889 -671.8547 -2269.9923 921491.4634 -671.8547 -2269.9923
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TIMING: 420 CPU: 197.837, 0.458847/step Wall: 197.837, 0.458847/step, 0.0101966 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 428 20140.4226 19760.4169 5710.4628 168.5259 -336199.9840 23087.7674 0.0000 0.0000 44884.2586 -222448.1297 163.2766 -267332.3884 -222058.0550 163.2766 -935.5731 -2206.9583 921491.4634 -935.5731 -2206.9583
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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 21768.3701 20188.6726 5710.3546 168.1086 -338651.2089 23176.0843 0.0000 0.0000 45177.9902 -222461.6285 164.3451 -267639.6187 -222065.9058 164.3451 -3350.2739 -2296.1496 921491.4634 -3350.2739 -2296.1496
ENERGY: 433 21200.9071 20275.9666 5710.3763 168.4633 -338164.0627 23162.2908 0.0000 0.0000 45192.9276 -222453.1310 164.3994 -267646.0586 -222052.5981 164.3994 -3187.3731 -2272.1275 921491.4634 -3187.3731 -2272.1275
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2695 23140.7733 0.0000 0.0000 44883.0991 -222420.9751 163.2724 -267304.0742 -222051.1462 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6547 23123.4095 0.0000 0.0000 44675.9835 -222398.7944 162.5189 -267074.7779 -222049.5888 162.5189 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
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ENERGY: 437 19434.5516 20329.5092 5720.9893 175.9827 -336411.9779 23136.3865 0.0000 0.0000 45159.2683 -222455.2902 164.2770 -267614.5585 -222050.7504 164.2770 -1319.1170 -2134.4848 921491.4634 -1319.1170 -2134.4848
ENERGY: 438 19935.1533 20278.6096 5724.6883 179.3848 -336899.4570 23173.5517 0.0000 0.0000 45148.1319 -222459.9374 164.2365 -267608.0693 -222051.5669 164.2365 -1493.0942 -2145.0880 921491.4634 -1493.0942 -2145.0880
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TIMING: 440 CPU: 206.999, 0.458099/step Wall: 206.999, 0.458099/step, 0.00763498 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5681 20036.2372 5729.7526 186.7202 -338123.1805 23276.2483 0.0000 0.0000 44417.5455 -222405.1085 161.5788 -266822.6541 -222059.4779 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
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ENERGY: 442 21853.6116 19664.5349 5729.4854 192.9412 -338090.1531 23327.1565 0.0000 0.0000 44880.6316 -222441.7920 163.2634 -267322.4236 -222049.7761 163.2634 -2710.5576 -2229.0697 921491.4634 -2710.5576 -2229.0697
ENERGY: 443 21064.3314 19487.0721 5727.6164 194.9329 -337369.3149 23320.0155 0.0000 0.0000 45118.1104 -222457.2360 164.1273 -267575.3464 -222048.6002 164.1273 -2448.1649 -2220.3532 921491.4634 -2448.1649 -2220.3532
ENERGY: 444 20449.3362 19357.2687 5725.4095 195.8735 -336464.1919 23301.5274 0.0000 0.0000 44987.7177 -222447.0591 163.6530 -267434.7767 -222057.9800 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5607 19307.2513 5723.6513 195.6942 -335759.3912 23283.8136 0.0000 0.0000 44708.7156 -222414.7044 162.6380 -267123.4200 -222046.5431 162.6380 -1846.9628 -2201.6926 921491.4634 -1846.9628 -2201.6926
ENERGY: 446 19947.6805 19324.9001 5722.5429 194.3235 -335494.5707 23276.0449 0.0000 0.0000 44620.2947 -222408.7841 162.3164 -267029.0788 -222046.1623 162.3164 -1800.7521 -2216.7294 921491.4634 -1800.7521 -2216.7294
ENERGY: 447 19914.2849 19416.0205 5722.2106 191.8641 -335769.4399 23282.7456 0.0000 0.0000 44816.5089 -222425.8052 163.0301 -267242.3141 -222046.8345 163.0301 -1993.3115 -2253.0604 921491.4634 -1993.3115 -2253.0604
ENERGY: 448 20187.5922 19583.6796 5722.5764 188.5554 -336503.1798 23303.8902 0.0000 0.0000 45065.6674 -222451.2186 163.9365 -267516.8860 -222059.3481 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 21754.4850 20108.1298 5724.4776 181.0898 -338419.3247 23364.6241 0.0000 0.0000 44854.3098 -222432.2087 163.1677 -267286.5185 -222048.7861 163.1677 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5899 20357.7254 5724.7143 177.6517 -338952.0907 23381.8005 0.0000 0.0000 44542.6987 -222411.9101 162.0341 -266954.6089 -222048.8247 162.0341 -3074.2531 -2405.7797 921491.4634 -3074.2531 -2405.7797
ENERGY: 452 22246.2013 20536.0133 5723.8953 174.8859 -338927.1540 23378.0942 0.0000 0.0000 44452.9196 -222415.1443 161.7075 -266868.0640 -222059.6374 161.7075 -2659.9605 -2384.7569 921491.4634 -2659.9605 -2384.7569
ENERGY: 453 21399.8726 20641.1309 5722.2878 173.1350 -338392.7938 23354.5906 0.0000 0.0000 44683.7034 -222418.0734 162.5470 -267101.7768 -222043.5376 162.5470 -2048.3338 -2342.4669 921491.4634 -2048.3338 -2342.4669
ENERGY: 454 20248.3381 20654.1372 5720.2217 172.3637 -337567.1420 23320.6901 0.0000 0.0000 45008.1466 -222443.2446 163.7273 -267451.3912 -222041.8395 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6459 23290.4023 0.0000 0.0000 45086.5790 -222451.1607 164.0126 -267537.7397 -222040.8574 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3722 20440.6800 5717.7555 173.4248 -336350.1082 23274.9631 0.0000 0.0000 44811.4726 -222438.4400 163.0118 -267249.9125 -222055.3490 163.0118 -1305.5007 -2245.5824 921491.4634 -1305.5007 -2245.5824
ENERGY: 457 20047.4930 20251.9435 5718.5580 174.9241 -336395.8171 23277.8275 0.0000 0.0000 44521.8703 -222403.2007 161.9583 -266925.0709 -222049.4137 161.9583 -1906.4168 -2263.5014 921491.4634 -1906.4168 -2263.5014
ENERGY: 458 20585.8435 20019.2725 5720.7060 176.6081 -336835.0963 23294.7173 0.0000 0.0000 44632.7885 -222405.1604 162.3618 -267037.9489 -222051.2827 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
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TIMING: 460 CPU: 216.165, 0.458338/step Wall: 216.165, 0.458338/step, 0.00509264 hours remaining, 3224.273438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2255 19487.8108 5736.4822 180.9531 -337988.7167 23351.1087 0.0000 0.0000 44559.9286 -222408.2077 162.0968 -266968.1363 -222056.7217 162.0968 -2954.8197 -2323.4250 921491.4634 -2954.8197 -2323.4250
ENERGY: 463 21821.1791 19513.9013 5738.9361 181.1160 -337284.1025 23326.9479 0.0000 0.0000 44313.4566 -222388.5655 161.2002 -266702.0221 -222054.6245 161.2002 -2012.4422 -2264.0777 921491.4634 -2012.4422 -2264.0777
ENERGY: 464 20535.2460 19559.9269 5739.2518 181.0096 -336389.3837 23291.1943 0.0000 0.0000 44654.0263 -222428.7288 162.4391 -267082.7551 -222058.5732 162.4391 -1050.9226 -2205.5267 921491.4634 -1050.9226 -2205.5267
ENERGY: 465 19322.7827 19631.8850 5737.2899 180.7155 -335701.1531 23259.7393 0.0000 0.0000 45094.5685 -222474.1723 164.0416 -267568.7408 -222052.9391 164.0416 -512.3347 -2174.4007 921491.4634 -512.3347 -2174.4007
ENERGY: 466 19088.4511 19708.3577 5733.2107 180.2808 -335443.7723 23245.0606 0.0000 0.0000 45020.7904 -222467.6210 163.7733 -267488.4114 -222052.9789 163.7733 -630.3315 -2182.6709 921491.4634 -630.3315 -2182.6709
ENERGY: 467 19841.8071 19783.1739 5727.6704 179.7757 -335721.0948 23249.4533 0.0000 0.0000 44523.6660 -222415.5486 161.9649 -266939.2145 -222054.3498 161.9649 -1393.6030 -2232.5923 921491.4634 -1393.6030 -2232.5923
ENERGY: 468 20761.8482 19845.4939 5721.5089 179.2779 -336451.5665 23265.8129 0.0000 0.0000 44291.6579 -222385.9668 161.1209 -266677.6247 -222056.3596 161.1209 -2508.6715 -2314.1340 921491.4634 -2508.6715 -2314.1340
ENERGY: 469 21236.3014 19910.2019 5715.6824 178.8504 -337458.3201 23284.3966 0.0000 0.0000 44720.3196 -222412.5678 162.6802 -267132.8875 -222046.0756 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -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 21411.1727 19972.8932 5710.9491 178.5947 -338383.2507 23297.0678 0.0000 0.0000 45346.4570 -222466.1162 164.9579 -267812.5732 -222047.6094 164.9579 -4259.6994 -2477.6831 921491.4634 -4259.6994 -2477.6831
ENERGY: 471 21732.8674 20054.6833 5707.9626 178.5890 -338913.2452 23297.5091 0.0000 0.0000 45471.3362 -222470.2976 165.4122 -267941.6338 -222047.5365 165.4122 -4290.5681 -2504.3175 921491.4634 -4290.5681 -2504.3175
ENERGY: 472 22081.2359 20161.5548 5707.0091 178.9047 -338870.6765 23279.4497 0.0000 0.0000 45028.5291 -222433.9931 163.8014 -267462.5222 -222059.5060 163.8014 -3659.7357 -2479.9183 921491.4634 -3659.7357 -2479.9183
ENERGY: 473 21866.1361 20289.3423 5707.9842 179.6165 -338307.7191 23240.7370 0.0000 0.0000 44634.5168 -222389.3861 162.3681 -267023.9029 -222043.8541 162.3681 -2556.3614 -2408.1656 921491.4634 -2556.3614 -2408.1656
ENERGY: 474 20842.9703 20372.0983 5710.2160 180.7466 -337438.4553 23189.2355 0.0000 0.0000 44733.2302 -222409.9584 162.7272 -267143.1886 -222041.2622 162.7272 -1295.5524 -2316.2727 921491.4634 -1295.5524 -2316.2727
ENERGY: 475 19674.2079 20371.7671 5712.9875 182.2512 -336604.2315 23142.3825 0.0000 0.0000 45070.2134 -222450.4218 163.9530 -267520.6353 -222039.4532 163.9530 -344.6450 -2232.2125 921491.4634 -344.6450 -2232.2125
ENERGY: 476 19235.7862 20282.0272 5715.7683 184.0125 -336100.0906 23115.8473 0.0000 0.0000 45106.0628 -222460.5864 164.0835 -267566.6491 -222053.6140 164.0835 -92.4050 -2183.0651 921491.4634 -92.4050 -2183.0651
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8792 23114.2946 0.0000 0.0000 44812.3201 -222420.1377 163.0149 -267232.4578 -222044.8413 163.0149 -667.4946 -2171.8227 921491.4634 -667.4946 -2171.8227
ENERGY: 478 20493.4776 19974.7637 5721.0254 187.7262 -336537.4037 23131.2466 0.0000 0.0000 44627.0325 -222402.1317 162.3409 -267029.1642 -222047.4109 162.3409 -1807.1604 -2198.7954 921491.4634 -1807.1604 -2198.7954
ENERGY: 479 21125.3056 19793.3955 5723.3295 189.2099 -337215.5838 23156.6777 0.0000 0.0000 44802.1572 -222425.5085 162.9779 -267227.6656 -222050.5462 162.9779 -3089.8514 -2246.7916 921491.4634 -3089.8514 -2246.7916
TIMING: 480 CPU: 225.327, 0.458071/step Wall: 225.327, 0.458071/step, 0.00254484 hours remaining, 3224.273438 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 21624.0324 19623.1963 5725.3111 190.1900 -337854.6785 23181.5122 0.0000 0.0000 45051.6810 -222458.7555 163.8856 -267510.4365 -222064.6214 163.8856 -4077.7323 -2291.4891 921491.4634 -4077.7323 -2291.4891
ENERGY: 481 22092.4851 19510.0431 5727.0952 190.6351 -338199.2480 23196.7962 0.0000 0.0000 45041.3366 -222440.8568 163.8480 -267482.1933 -222052.5270 163.8480 -4466.2391 -2305.6732 921491.4634 -4466.2391 -2305.6732
ENERGY: 482 22186.3465 19466.6791 5728.4963 190.3598 -338044.5418 23192.7476 0.0000 0.0000 44865.8520 -222414.0605 163.2096 -267279.9125 -222051.4117 163.2096 -4059.3095 -2278.0615 921491.4634 -4059.3095 -2278.0615
ENERGY: 483 21553.1411 19511.5742 5729.5660 189.3226 -337426.2187 23165.8741 0.0000 0.0000 44861.8972 -222414.8434 163.1953 -267276.7406 -222048.7677 163.1953 -2964.1721 -2216.4116 921491.4634 -2964.1721 -2216.4116
ENERGY: 484 20460.8924 19631.1936 5730.2465 187.5455 -336590.8885 23126.1352 0.0000 0.0000 45003.6036 -222451.2718 163.7107 -267454.8754 -222059.8743 163.7107 -1565.2424 -2143.1848 921491.4634 -1565.2424 -2143.1848
ENERGY: 485 19688.7721 19800.2990 5730.5256 185.2458 -335902.5869 23092.8470 0.0000 0.0000 44955.5729 -222449.3247 163.5360 -267404.8975 -222045.9607 163.5360 -422.1571 -2086.8735 921491.4634 -422.1571 -2086.8735
ENERGY: 486 19602.5429 19954.8176 5729.7197 182.4662 -335612.3572 23080.3806 0.0000 0.0000 44645.9119 -222416.5182 162.4096 -267062.4301 -222044.6761 162.4096 87.3178 -2070.0982 921491.4634 87.3178 -2070.0982
ENERGY: 487 19881.0928 20072.0214 5727.4347 179.4360 -335846.4487 23091.0542 0.0000 0.0000 44503.3496 -222392.0600 161.8910 -266895.4096 -222045.2408 161.8910 -192.2349 -2106.8840 921491.4634 -192.2349 -2106.8840
ENERGY: 488 20125.2099 20156.1363 5723.5440 176.4338 -336552.5456 23118.8614 0.0000 0.0000 44827.0560 -222425.3042 163.0685 -267252.3601 -222057.1939 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8869 20236.4611 5718.5748 173.8639 -337540.4657 23156.7307 0.0000 0.0000 45266.1009 -222461.8474 164.6656 -267727.9483 -222045.6087 164.6656 -2511.2403 -2316.7067 921491.4634 -2511.2403 -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 21410.7485 20292.9023 5712.8912 171.8438 -338458.1361 23196.4874 0.0000 0.0000 45213.5635 -222459.6994 164.4745 -267673.2629 -222048.2209 164.4745 -3823.4036 -2437.4155 921491.4634 -3823.4036 -2437.4155
ENERGY: 491 22430.4636 20312.1361 5707.3795 170.5404 -338984.5793 23226.0934 0.0000 0.0000 44733.0094 -222404.9569 162.7264 -267137.9663 -222049.4639 162.7264 -4629.6931 -2524.6215 921491.4634 -4629.6931 -2524.6215
ENERGY: 492 22612.9545 20289.6811 5702.9944 170.0207 -338937.5817 23232.7202 0.0000 0.0000 44542.1954 -222387.0154 162.0323 -266929.2108 -222060.3863 162.0323 -4606.8523 -2557.4730 921491.4634 -4606.8523 -2557.4730
ENERGY: 493 21558.2187 20260.7374 5700.7779 170.3200 -338358.0635 23214.0534 0.0000 0.0000 45033.8232 -222420.1329 163.8207 -267453.9561 -222046.5904 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3366 20225.0261 5700.9805 171.2193 -337454.3838 23183.0793 0.0000 0.0000 45622.2477 -222483.4942 165.9612 -268105.7419 -222044.0871 165.9612 -2500.8995 -2482.1069 921491.4634 -2500.8995 -2482.1069
ENERGY: 495 19383.2464 20186.8301 5703.5926 172.5416 -336566.9889 23159.4623 0.0000 0.0000 45484.1230 -222477.1928 165.4587 -267961.3159 -222041.5566 165.4587 -1249.6841 -2407.3056 921491.4634 -1249.6841 -2407.3056
ENERGY: 496 19722.4836 20130.6473 5708.0350 174.0933 -335998.7156 23154.2634 0.0000 0.0000 44699.5268 -222409.6662 162.6046 -267109.1930 -222049.0673 162.6046 -478.9001 -2343.4751 921491.4634 -478.9001 -2343.4751
ENERGY: 497 20212.6669 20059.9176 5713.4613 175.7242 -335952.5040 23166.3544 0.0000 0.0000 44261.0284 -222363.3513 161.0095 -266624.3796 -222042.7503 161.0095 -421.0234 -2316.7928 921491.4634 -421.0234 -2316.7928
ENERGY: 498 20182.0163 19957.1215 5718.5596 177.2604 -336366.4927 23189.3583 0.0000 0.0000 44728.2530 -222413.9236 162.7091 -267142.1766 -222044.5222 162.7091 -993.4678 -2331.6472 921491.4634 -993.4678 -2331.6472
ENERGY: 499 20158.0674 19847.7307 5722.4089 178.6361 -337058.4815 23219.2402 0.0000 0.0000 45439.2640 -222493.1342 165.2956 -267932.3982 -222047.2065 165.2956 -2020.8684 -2376.3389 921491.4634 -2020.8684 -2376.3389
Info: Benchmark time: 4 CPUs 0.457519 s/step 5.29536 days/ns 3224.27 MB memory
TIMING: 500 CPU: 234.412, 0.454248/step Wall: 234.412, 0.454248/step, 0 hours remaining, 3224.273438 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 20974.8931 19756.6581 5724.4523 179.8271 -337741.4181 23251.1007 0.0000 0.0000 45359.0775 -222495.4093 165.0039 -267854.4867 -222061.0911 165.0039 -3197.5163 -2425.4141 921491.4634 -3197.5163 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.723 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.723 MB of memory in use
====================================================
WallClock: 241.213013 CPUTime: 241.213013 Memory: 3229.722656 MB
[Partition 0][Node 0] End of program
Application 109715518 resources: utime ~948s, stime ~19s, Rss ~127216, inblocks ~67012, outblocks ~72240
Displaying status file:
verified
WALL=241.213013
CPU=241.213013
MEM=3229.722656
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins1438069617240946281.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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