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 ============== 54.2519
LDB: Largest compute 200 load 0.433363 is 1.2% of average load 36.820447
LDB: Average compute 0.051576 is 0.1% of average load 36.820447
LDB: Partitioning computes with target load 3.682045
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055734
LDB: ============== END OF LOAD BALANCING =============== 54.254
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2549
Info: Initial time: 4 CPUs 0.474018 s/step 5.48632 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.3739, 0.47304/step Wall: 48.3739, 0.47304/step, 0.05256 hours remaining, 3221.484375 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.6976
LDB: ============== END OF LOAD BALANCING =============== 63.6977
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6982
TIMING: 120 CPU: 57.8153, 0.472069/step Wall: 57.8153, 0.472069/step, 0.0498295 hours remaining, 3221.628906 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: 67.2518, 0.471824/step Wall: 67.2518, 0.471824/step, 0.0471824 hours remaining, 3221.847656 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: 158 21695.0847 19425.3238 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6821 -222319.2313 155.3806 -265032.9133 -222157.3218 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.6719, 0.471008/step Wall: 76.6719, 0.471008/step, 0.0444841 hours remaining, 3221.988281 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 -333735.9154 20833.5472 0.0000 0.0000 44515.8597 -222542.3532 161.9365 -267058.2130 -222175.6785 161.9365 -3202.8704 -2752.7604 921491.4634 -3202.8704 -2752.7604
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ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6068 -222342.9104 156.6790 -265413.5172 -222161.4906 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7467 -222160.7801 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 167 21026.8307 19216.2868 5755.9248 205.8794 -332212.1861 20917.6389 0.0000 0.0000 42775.8063 -222313.8192 155.6066 -265089.6255 -222150.5294 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4929 20963.4338 0.0000 0.0000 42492.3352 -222325.8216 154.5754 -264818.1568 -222149.7707 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
ENERGY: 169 20648.4665 20870.4070 5789.9166 204.9287 -334596.5072 20994.5723 0.0000 0.0000 43600.1911 -222488.0251 158.6055 -266088.2162 -222133.5315 158.6055 -2095.8776 -2988.7948 921491.4634 -2095.8776 -2988.7948
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2128 20943.2096 0.0000 0.0000 44722.5121 -222468.0276 162.6882 -267190.5397 -222127.3367 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3197 18664.1735 5738.9484 156.2659 -332371.2411 20981.6519 0.0000 0.0000 42714.2626 -222252.6193 155.3827 -264966.8819 -222125.5134 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7901 18733.9558 5737.6245 154.5770 -332975.2974 21015.2133 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1367 -222126.1319 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0821, 0.470511/step Wall: 86.0821, 0.470511/step, 0.0418232 hours remaining, 3222.128906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 183 22149.3488 19677.1535 5722.7616 169.5349 -332921.8738 21084.4911 0.0000 0.0000 41834.8234 -222283.7605 152.1836 -264118.5839 -222131.2588 152.1836 -1990.8046 -2626.5158 921491.4634 -1990.8046 -2626.5158
ENERGY: 184 18376.8757 19424.9916 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3088 163.2631 -267452.8615 -222144.6139 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
ENERGY: 185 16957.7745 19234.6874 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4989 -222653.6515 167.8792 -268803.1504 -222128.1653 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0406 19234.9572 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5888 -222435.3689 161.4844 -266826.9577 -222129.2885 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0057 -222222.0798 154.4178 -264671.0855 -222130.9077 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
ENERGY: 188 22101.1831 19886.6774 5676.0120 186.3502 -334382.7612 21093.9044 0.0000 0.0000 43113.1616 -222325.4725 156.8338 -265438.6341 -222135.3907 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8662 19594.9319 5717.4229 183.5644 -332319.6951 21082.8578 0.0000 0.0000 43603.6157 -222381.4361 158.6180 -265985.0518 -222096.3127 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3671 19122.7579 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3656 -222242.4587 154.8738 -264816.8242 -222086.7179 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2864 -222391.0320 159.7372 -266302.3184 -222090.4391 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
ENERGY: 199 20113.4048 18634.4039 5710.3429 188.2374 -334151.8587 21182.1776 0.0000 0.0000 45722.9590 -222600.3330 166.3276 -268323.2920 -222093.2750 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.379
LDB: Largest compute 200 load 0.428901 is 1.2% of average load 36.639944
LDB: Average compute 0.051322 is 0.1% of average load 36.639944
LDB: TIME 101.381 LOAD: AVG 36.6399 MAX 37.6807 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.47 MB
LDB: TIME 101.383 LOAD: AVG 36.6399 MAX 37.4893 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.47 MB
LDB: ============== END OF LOAD BALANCING =============== 101.385
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.388
Info: Initial time: 4 CPUs 0.471208 s/step 5.4538 days/ns 3223.59 MB memory
TIMING: 200 CPU: 95.5045, 0.471118/step Wall: 95.5045, 0.471118/step, 0.0392599 hours remaining, 3223.593750 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 21073.6836 18595.6349 5711.8747 190.0258 -334670.2808 21209.9247 0.0000 0.0000 45319.1603 -222569.9768 164.8586 -267889.1371 -222114.5241 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4188 -334751.7129 21239.1340 0.0000 0.0000 43222.4697 -222327.9738 157.2315 -265550.4435 -222100.1075 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3004 21243.2751 0.0000 0.0000 42432.5589 -222241.0643 154.3580 -264673.6232 -222096.8287 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8946 19130.0391 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1630 160.2771 -266490.8617 -222093.6423 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2203 21188.8402 0.0000 0.0000 45629.4721 -222628.9811 165.9875 -268258.4532 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0791 19868.9415 5735.7153 189.6741 -332398.2555 21197.9185 0.0000 0.0000 44690.7151 -222526.2118 162.5725 -267216.9269 -222099.8062 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3438 21241.8390 0.0000 0.0000 42439.0586 -222274.9358 154.3816 -264713.9944 -222100.3398 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8033 20338.2891 5726.5434 185.3060 -333603.9794 21289.9001 0.0000 0.0000 42143.6915 -222226.4460 153.3072 -264370.1375 -222103.0933 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2704 20371.8904 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6271 -222472.1863 161.6191 -266900.8134 -222122.6312 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0059 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6802 -222642.3813 168.3309 -268916.0615 -222106.7898 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1734 20194.2569 5705.3139 178.4614 -336615.7766 21385.1095 0.0000 0.0000 45251.4335 -222516.0279 164.6123 -267767.4615 -222108.2014 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8925 21415.1476 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8411 -222106.8539 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2711 19730.8222 5710.0295 176.0352 -336013.6224 21412.5982 0.0000 0.0000 42995.1638 -222249.7024 156.4046 -265244.8662 -222104.2316 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2162 19524.5248 5720.1722 175.9508 -334874.6441 21380.5551 0.0000 0.0000 45418.7805 -222504.4445 165.2210 -267923.2250 -222097.3833 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3934 21358.4485 0.0000 0.0000 46958.4703 -222681.1883 170.8220 -269639.6585 -222093.7405 170.8220 -143.6686 -2626.0578 921491.4634 -143.6686 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6746 -222527.8915 164.7987 -267830.5661 -222091.0445 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1060 21436.4835 0.0000 0.0000 42442.1787 -222248.3316 154.3930 -264690.5104 -222073.6154 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6756 21497.2705 0.0000 0.0000 41983.6749 -222225.0681 152.7251 -264208.7430 -222064.4463 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1145 21546.6560 0.0000 0.0000 44178.6835 -222478.5359 160.7099 -266657.2195 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.931, 0.471307/step Wall: 104.931, 0.471307/step, 0.0366572 hours remaining, 3223.593750 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: 114.348, 0.470881/step Wall: 114.348, 0.470881/step, 0.034008 hours remaining, 3223.593750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7065 21770.4747 0.0000 0.0000 45537.0690 -222575.9242 165.6513 -268112.9933 -222061.6671 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6008 21720.5676 0.0000 0.0000 45629.1663 -222554.1192 165.9864 -268183.2855 -222078.7768 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2370 19811.7599 5725.7785 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5248 -222360.5915 160.6730 -266529.1163 -222068.6363 160.6730 -1771.6902 -2533.5454 921491.4634 -1771.6902 -2533.5454
ENERGY: 246 20878.5483 19853.7025 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4181 -222284.3176 158.6063 -265884.7357 -222067.4293 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5288 19979.6440 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1912 -222431.6934 163.3782 -267343.8846 -222068.1391 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1352 21746.4310 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6226 -222090.3125 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2675 21826.9295 0.0000 0.0000 43905.3721 -222425.8455 159.7157 -266331.2176 -222091.3304 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0193 -222581.3411 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
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ENERGY: 256 20899.4412 18950.9578 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1612 -222297.2435 157.0812 -265478.4047 -222071.2737 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0038 21780.2418 0.0000 0.0000 44488.5469 -222428.4888 161.8371 -266917.0358 -222060.1681 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1543 21817.5076 0.0000 0.0000 45796.2580 -222556.7760 166.5942 -268353.0340 -222062.0606 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.757, 0.470414/step Wall: 123.757, 0.470414/step, 0.031361 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2725 19814.6777 5694.0656 188.7122 -336291.7859 21947.6073 0.0000 0.0000 44601.6347 -222438.8159 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
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ENERGY: 264 19385.2261 20436.4306 5710.6950 187.5052 -334855.9512 21907.7771 0.0000 0.0000 44751.4785 -222476.8386 162.7936 -267228.3172 -222069.1981 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8417 20681.9927 5713.6241 187.4392 -334395.6633 21906.0162 0.0000 0.0000 43607.6375 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7901 20788.8702 5712.1327 187.6137 -334399.4578 21914.4804 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5707 -222054.3632 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2170 -222446.1644 160.8610 -266666.3813 -222055.6582 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5379 -222504.2922 163.0557 -267327.8301 -222075.9873 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 22620.1933 19450.9168 5690.3173 187.1618 -336650.6773 22028.8069 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4613 22015.0578 0.0000 0.0000 45607.7078 -222503.3107 165.9083 -268111.0185 -222081.1569 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7011 21985.5295 0.0000 0.0000 45502.7163 -222499.9692 165.5264 -268002.6855 -222069.0456 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8503 19594.7507 5701.2547 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5274 -222412.2137 160.1637 -266440.7411 -222072.9392 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2972 19724.7159 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8115 -222481.8214 162.3619 -267114.6329 -222061.0984 162.3619 -2311.7546 -2498.0546 921491.4634 -2311.7546 -2498.0546
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2543 -222463.7058 161.9961 -266995.9601 -222063.4127 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
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TIMING: 280 CPU: 133.154, 0.469883/step Wall: 133.154, 0.469883/step, 0.0287151 hours remaining, 3223.898438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6310 20966.5623 5721.5031 185.8229 -334658.1149 22176.6863 0.0000 0.0000 43785.6884 -222425.2209 159.2803 -266210.9093 -222054.0579 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9440 -222485.6056 161.0892 -266768.5495 -222055.7250 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2852 5736.9557 182.7335 -335468.3150 22237.9037 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9052 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 ============== 148.457
LDB: Largest compute 200 load 0.520543 is 1.1% of average load 45.708105
LDB: Average compute 0.064019 is 0.1% of average load 45.708105
LDB: TIME 148.459 LOAD: AVG 45.7081 MAX 47.0688 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 148.46 LOAD: AVG 45.7081 MAX 47.0688 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 148.474 LOAD: AVG 45.7081 MAX 46.2304 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 148.475
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.477
Info: Initial time: 4 CPUs 0.470372 s/step 5.44412 days/ns 3224.1 MB memory
TIMING: 300 CPU: 142.562, 0.470388/step Wall: 142.562, 0.470388/step, 0.0261326 hours remaining, 3224.097656 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: 151.787, 0.461238/step Wall: 151.787, 0.461238/step, 0.0230619 hours remaining, 3224.097656 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: 161.007, 0.460995/step Wall: 161.007, 0.460995/step, 0.0204887 hours remaining, 3224.097656 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: 170.219, 0.460625/step Wall: 170.219, 0.460625/step, 0.0179132 hours remaining, 3224.097656 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: 364 19323.8976 19612.6014 5699.8913 181.0103 -336175.2000 22790.5191 0.0000 0.0000 46034.3492 -222532.9310 167.4603 -268567.2802 -222068.5915 167.4603 -1420.0426 -2476.3758 921491.4634 -1420.0426 -2476.3758
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ENERGY: 368 20561.5940 19748.2119 5739.6691 179.8275 -335728.0874 22808.6651 0.0000 0.0000 44272.8407 -222417.2791 161.0524 -266690.1198 -222068.2910 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
ENERGY: 369 20346.9679 19812.6205 5741.6370 179.5048 -336580.3307 22825.3358 0.0000 0.0000 45155.6309 -222518.6339 164.2638 -267674.2648 -222061.1000 164.2638 -3666.9891 -2542.4574 921491.4634 -3666.9891 -2542.4574
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 376 19884.0274 19962.1764 5703.2010 181.1433 -335321.8630 22772.8700 0.0000 0.0000 44434.3275 -222384.1174 161.6399 -266818.4448 -222050.5528 161.6399 -874.6222 -2439.6903 921491.4634 -874.6222 -2439.6903
ENERGY: 377 20646.4611 20251.1593 5706.5521 182.3248 -335763.5800 22794.3772 0.0000 0.0000 43848.2753 -222334.4301 159.5080 -266182.7054 -222041.4011 159.5080 -1819.5858 -2472.4986 921491.4634 -1819.5858 -2472.4986
ENERGY: 378 20473.8101 20495.6595 5711.4639 183.2952 -336584.2278 22821.5836 0.0000 0.0000 44474.7536 -222423.6619 161.7869 -266898.4156 -222044.3966 161.7869 -2972.9873 -2523.3499 921491.4634 -2972.9873 -2523.3499
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TIMING: 380 CPU: 179.425, 0.46028/step Wall: 179.425, 0.46028/step, 0.0153427 hours remaining, 3224.097656 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: 384 19625.4115 19596.0354 5710.5349 179.0647 -336052.0487 22884.2534 0.0000 0.0000 45539.1833 -222517.5655 165.6590 -268056.7488 -222062.0923 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
ENERGY: 385 19327.8183 19356.8912 5707.7751 177.4354 -335210.6402 22871.6143 0.0000 0.0000 45299.7171 -222469.3887 164.7879 -267769.1058 -222051.0990 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2275 19220.9465 5707.6637 175.9385 -334865.1818 22880.7957 0.0000 0.0000 44519.8586 -222378.7513 161.9510 -266898.6098 -222051.0434 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2862 19202.4844 5710.9354 174.6759 -335109.8725 22905.2744 0.0000 0.0000 44377.1816 -222372.0346 161.4320 -266749.2162 -222053.0047 161.4320 -738.9584 -2019.1687 921491.4634 -738.9584 -2019.1687
ENERGY: 388 20282.3988 19280.0167 5717.2934 173.7038 -335824.1517 22938.2900 0.0000 0.0000 44972.7762 -222459.6728 163.5986 -267432.4490 -222067.4815 163.5986 -2063.8552 -2076.2820 921491.4634 -2063.8552 -2076.2820
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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: 397 19906.7785 20200.7712 5721.4919 176.2273 -336102.8176 22990.0376 0.0000 0.0000 44712.8673 -222394.6440 162.6531 -267107.5112 -222042.6598 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8116 20133.3592 5716.9814 176.0456 -336812.3379 23014.0586 0.0000 0.0000 45592.7321 -222486.3495 165.8538 -268079.0815 -222045.7220 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.546
LDB: Largest compute 230 load 0.529217 is 1.2% of average load 45.695531
LDB: Average compute 0.063988 is 0.1% of average load 45.695531
LDB: TIME 194.548 LOAD: AVG 45.6955 MAX 46.0694 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 194.549 LOAD: AVG 45.6955 MAX 46.0694 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 194.549 LOAD: AVG 45.6955 MAX 46.0694 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 194.549
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.55
Info: Benchmark time: 4 CPUs 0.460633 s/step 5.3314 days/ns 3224.1 MB memory
TIMING: 400 CPU: 188.629, 0.460232/step Wall: 188.629, 0.460232/step, 0.0127842 hours remaining, 3224.097656 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 22444.0481 19835.9108 5715.8942 173.8391 -338107.6284 23109.6379 0.0000 0.0000 44436.8097 -222391.4886 161.6489 -266828.2983 -222049.2222 161.6489 -4939.3795 -2681.7024 921491.4634 -4939.3795 -2681.7024
ENERGY: 403 20784.9696 19778.4828 5715.7218 174.2695 -337239.9781 23077.8403 0.0000 0.0000 45225.5961 -222483.0980 164.5183 -267708.6941 -222046.6850 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
ENERGY: 404 19687.5955 19735.4028 5713.8114 175.5084 -336169.1141 23038.2901 0.0000 0.0000 45313.8391 -222504.6669 164.8393 -267818.5060 -222060.2371 164.8393 -1967.0749 -2494.0439 921491.4634 -1967.0749 -2494.0439
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ENERGY: 408 19735.8470 19387.6642 5692.2151 187.5226 -335902.8212 23017.8173 0.0000 0.0000 45394.4120 -222487.3430 165.1324 -267881.7550 -222063.5309 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1188 19376.4605 5688.4775 191.1593 -336896.6840 23057.9922 0.0000 0.0000 45733.6057 -222498.8701 166.3663 -268232.4758 -222051.6702 166.3663 -2367.4919 -2346.9325 921491.4634 -2367.4919 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1418 20138.5249 5699.9334 199.7191 -337872.5312 23125.1114 0.0000 0.0000 45113.2140 -222465.8866 164.1095 -267579.1006 -222055.3450 164.1095 -3850.6271 -2398.9549 921491.4634 -3850.6271 -2398.9549
ENERGY: 414 19987.3859 20381.5507 5705.1135 199.5118 -337122.7791 23094.4555 0.0000 0.0000 45271.6523 -222483.1094 164.6858 -267754.7617 -222052.1620 164.6858 -2501.3243 -2333.9464 921491.4634 -2501.3243 -2333.9464
ENERGY: 415 19745.2668 20572.1261 5708.7452 198.1487 -336456.1965 23071.1989 0.0000 0.0000 44733.2268 -222427.4841 162.7272 -267160.7109 -222049.0343 162.7272 -1174.6453 -2266.5616 921491.4634 -1174.6453 -2266.5616
ENERGY: 416 19942.3170 20661.9897 5710.0857 195.6953 -336157.5854 23063.1712 0.0000 0.0000 44200.2846 -222384.0419 160.7885 -266584.3265 -222052.9642 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1067 23072.1095 0.0000 0.0000 44338.4616 -222398.3208 161.2911 -266736.7824 -222044.6992 161.2911 -112.4552 -2227.1700 921491.4634 -112.4552 -2227.1700
ENERGY: 418 20154.6646 20457.0910 5705.5847 188.6536 -336970.7859 23098.6722 0.0000 0.0000 44915.1420 -222450.9777 163.3889 -267366.1197 -222046.7091 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6054 -337717.8748 23139.8019 0.0000 0.0000 45250.3098 -222466.3612 164.6082 -267716.6709 -222049.5948 164.6082 -1783.9421 -2336.6465 921491.4634 -1783.9421 -2336.6465
TIMING: 420 CPU: 197.807, 0.458877/step Wall: 197.807, 0.458877/step, 0.0101973 hours remaining, 3224.097656 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: 427 19598.5314 19595.2896 5707.1504 168.7509 -335498.4308 23074.5001 0.0000 0.0000 44915.2778 -222438.9306 163.3894 -267354.2084 -222048.7334 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
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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 22013.9873 20024.3737 5712.1700 168.1897 -338096.9199 23149.4487 0.0000 0.0000 44626.3100 -222402.4405 162.3383 -267028.7505 -222047.3914 162.3383 -2472.2457 -2268.0466 921491.4634 -2472.2457 -2268.0466
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ENERGY: 432 21768.3705 20188.6725 5710.3547 168.1086 -338651.2097 23176.0840 0.0000 0.0000 45177.9913 -222461.6282 164.3451 -267639.6195 -222065.9055 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9074 20275.9665 5710.3763 168.4633 -338164.0635 23162.2905 0.0000 0.0000 45192.9287 -222453.1307 164.3995 -267646.0594 -222052.5978 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3416 20338.1501 5711.6061 169.3247 -337394.2702 23140.7730 0.0000 0.0000 44883.1000 -222420.9748 163.2724 -267304.0747 -222051.1459 163.2724 -2694.3110 -2227.7885 921491.4634 -2694.3110 -2227.7885
ENERGY: 435 20235.2204 20362.4016 5714.0003 170.8455 -336680.6553 23123.4093 0.0000 0.0000 44675.9842 -222398.7941 162.5190 -267074.7783 -222049.5885 162.5190 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9243 20349.9982 5717.2345 173.0864 -336303.8811 23119.9073 0.0000 0.0000 44847.0988 -222425.6315 163.1414 -267272.7303 -222059.6957 163.1414 -1520.6599 -2145.1617 921491.4634 -1520.6599 -2145.1617
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ENERGY: 438 19935.1532 20278.6096 5724.6883 179.3848 -336899.4575 23173.5516 0.0000 0.0000 45148.1327 -222459.9372 164.2365 -267608.0699 -222051.5666 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 206.978, 0.458556/step Wall: 206.978, 0.458556/step, 0.00764261 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2373 5729.7527 186.7201 -338123.1804 23276.2483 0.0000 0.0000 44417.5459 -222405.1077 161.5788 -266822.6536 -222059.4770 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
ENERGY: 441 22355.5487 19860.0410 5730.3487 190.1145 -338361.1713 23313.2043 0.0000 0.0000 44502.6965 -222409.2176 161.8886 -266911.9141 -222050.0857 161.8886 -2716.1028 -2221.5314 921491.4634 -2716.1028 -2221.5314
ENERGY: 442 21853.6118 19664.5349 5729.4854 192.9411 -338090.1530 23327.1566 0.0000 0.0000 44880.6321 -222441.7911 163.2634 -267322.4232 -222049.7753 163.2634 -2710.5577 -2229.0696 921491.4634 -2710.5577 -2229.0696
ENERGY: 443 21064.3317 19487.0722 5727.6164 194.9329 -337369.3147 23320.0156 0.0000 0.0000 45118.1107 -222457.2352 164.1273 -267575.3459 -222048.5993 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3366 19357.2687 5725.4095 195.8735 -336464.1921 23301.5274 0.0000 0.0000 44987.7177 -222447.0587 163.6530 -267434.7764 -222057.9796 163.6530 -2090.2101 -2206.4399 921491.4634 -2090.2101 -2206.4399
ENERGY: 445 20125.5610 19307.2514 5723.6513 195.6942 -335759.3912 23283.8137 0.0000 0.0000 44708.7156 -222414.7041 162.6380 -267123.4197 -222046.5427 162.6380 -1846.9627 -2201.6925 921491.4634 -1846.9627 -2201.6925
ENERGY: 446 19947.6806 19324.9002 5722.5429 194.3235 -335494.5707 23276.0449 0.0000 0.0000 44620.2948 -222408.7838 162.3164 -267029.0786 -222046.1619 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2849 19416.0207 5722.2107 191.8642 -335769.4399 23282.7456 0.0000 0.0000 44816.5091 -222425.8049 163.0301 -267242.3140 -222046.8342 163.0301 -1993.3111 -2253.0603 921491.4634 -1993.3111 -2253.0603
ENERGY: 448 20187.5923 19583.6798 5722.5764 188.5554 -336503.1800 23303.8902 0.0000 0.0000 45065.6675 -222451.2183 163.9365 -267516.8858 -222059.3479 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4061 19832.6985 5723.5712 184.8596 -337500.9072 23334.5922 0.0000 0.0000 45101.1679 -222446.6117 164.0657 -267547.7796 -222047.7097 164.0657 -2827.1080 -2356.1407 921491.4634 -2827.1080 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1300 5724.4776 181.0898 -338419.3252 23364.6242 0.0000 0.0000 44854.3098 -222432.2084 163.1677 -267286.5183 -222048.7858 163.1677 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6517 -338952.0913 23381.8006 0.0000 0.0000 44542.6990 -222411.9098 162.0341 -266954.6089 -222048.8244 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2015 20536.0135 5723.8953 174.8859 -338927.1546 23378.0943 0.0000 0.0000 44452.9201 -222415.1440 161.7075 -266868.0641 -222059.6370 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8728 20641.1311 5722.2878 173.1350 -338392.7944 23354.5907 0.0000 0.0000 44683.7039 -222418.0730 162.5470 -267101.7769 -222043.5371 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3384 20654.1373 5720.2217 172.3637 -337567.1426 23320.6901 0.0000 0.0000 45008.1471 -222443.2442 163.7273 -267451.3913 -222041.8391 163.7273 -1453.4581 -2293.1451 921491.4634 -1453.4581 -2293.1451
ENERGY: 455 19486.7909 20584.7120 5718.4844 172.5169 -336790.6464 23290.4023 0.0000 0.0000 45086.5796 -222451.1603 164.0126 -267537.7399 -222040.8570 164.0126 -1151.8826 -2255.8573 921491.4634 -1151.8826 -2255.8573
ENERGY: 456 19493.3723 20440.6800 5717.7556 173.4248 -336350.1084 23274.9631 0.0000 0.0000 44811.4733 -222438.4392 163.0118 -267249.9125 -222055.3483 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4930 20251.9436 5718.5580 174.9241 -336395.8172 23277.8275 0.0000 0.0000 44521.8711 -222403.1999 161.9583 -266925.0710 -222049.4129 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8436 20019.2725 5720.7061 176.6081 -336835.0965 23294.7174 0.0000 0.0000 44632.7893 -222405.1596 162.3618 -267037.9489 -222051.2819 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.137, 0.457952/step Wall: 216.137, 0.457952/step, 0.00508836 hours remaining, 3224.097656 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 22264.2258 19487.8109 5736.4823 180.9531 -337988.7171 23351.1087 0.0000 0.0000 44559.9293 -222408.2071 162.0968 -266968.1364 -222056.7210 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1795 19513.9014 5738.9361 181.1160 -337284.1029 23326.9479 0.0000 0.0000 44313.4572 -222388.5648 161.2002 -266702.0220 -222054.6238 161.2002 -2012.4424 -2264.0777 921491.4634 -2012.4424 -2264.0777
ENERGY: 464 20535.2463 19559.9270 5739.2518 181.0096 -336389.3842 23291.1943 0.0000 0.0000 44654.0268 -222428.7284 162.4391 -267082.7552 -222058.5729 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7828 19631.8852 5737.2899 180.7155 -335701.1535 23259.7393 0.0000 0.0000 45094.5689 -222474.1720 164.0416 -267568.7408 -222052.9388 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4511 19708.3579 5733.2107 180.2808 -335443.7726 23245.0606 0.0000 0.0000 45020.7909 -222467.6206 163.7733 -267488.4115 -222052.9785 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8071 19783.1741 5727.6704 179.7757 -335721.0950 23249.4532 0.0000 0.0000 44523.6664 -222415.5482 161.9649 -266939.2146 -222054.3495 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8483 19845.4941 5721.5090 179.2779 -336451.5663 23265.8128 0.0000 0.0000 44291.6582 -222385.9661 161.1209 -266677.6243 -222056.3589 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3017 19910.2021 5715.6824 178.8504 -337458.3199 23284.3964 0.0000 0.0000 44720.3200 -222412.5670 162.6802 -267132.8870 -222046.0748 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 21411.1731 19972.8933 5710.9491 178.5947 -338383.2506 23297.0675 0.0000 0.0000 45346.4574 -222466.1155 164.9579 -267812.5729 -222047.6087 164.9579 -4259.6996 -2477.6832 921491.4634 -4259.6996 -2477.6832
ENERGY: 471 21732.8677 20054.6833 5707.9626 178.5890 -338913.2452 23297.5087 0.0000 0.0000 45471.3368 -222470.2969 165.4122 -267941.6337 -222047.5357 165.4122 -4290.5684 -2504.3176 921491.4634 -4290.5684 -2504.3176
ENERGY: 472 22081.2362 20161.5549 5707.0091 178.9047 -338870.6771 23279.4494 0.0000 0.0000 45028.5299 -222433.9929 163.8014 -267462.5228 -222059.5058 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1365 20289.3424 5707.9843 179.6165 -338307.7197 23240.7366 0.0000 0.0000 44634.5175 -222389.3859 162.3681 -267023.9035 -222043.8540 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9706 20372.0984 5710.2160 180.7466 -337438.4560 23189.2351 0.0000 0.0000 44733.2309 -222409.9582 162.7272 -267143.1891 -222041.2620 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2323 23142.3821 0.0000 0.0000 45070.2142 -222450.4217 163.9531 -267520.6359 -222039.4530 163.9531 -344.6450 -2232.2126 921491.4634 -344.6450 -2232.2126
ENERGY: 476 19235.7863 20282.0275 5715.7683 184.0125 -336100.0911 23115.8470 0.0000 0.0000 45106.0636 -222460.5858 164.0835 -267566.6494 -222053.6135 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7252 20145.9815 5718.4976 185.9230 -336101.8798 23114.2943 0.0000 0.0000 44812.3209 -222420.1372 163.0149 -267232.4581 -222044.8408 163.0149 -667.4946 -2171.8228 921491.4634 -667.4946 -2171.8228
ENERGY: 478 20493.4779 19974.7641 5721.0254 187.7262 -336537.4045 23131.2464 0.0000 0.0000 44627.0333 -222402.1312 162.3409 -267029.1644 -222047.4104 162.3409 -1807.1604 -2198.7956 921491.4634 -1807.1604 -2198.7956
ENERGY: 479 21125.3060 19793.3959 5723.3295 189.2099 -337215.5846 23156.6776 0.0000 0.0000 44802.1579 -222425.5080 162.9779 -267227.6659 -222050.5457 162.9779 -3089.8515 -2246.7918 921491.4634 -3089.8515 -2246.7918
TIMING: 480 CPU: 225.298, 0.458057/step Wall: 225.298, 0.458057/step, 0.00254476 hours remaining, 3224.097656 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 21624.0328 19623.1966 5725.3111 190.1900 -337854.6792 23181.5122 0.0000 0.0000 45051.6818 -222458.7547 163.8856 -267510.4365 -222064.6207 163.8856 -4077.7325 -2291.4892 921491.4634 -4077.7325 -2291.4892
ENERGY: 481 22092.4854 19510.0434 5727.0952 190.6351 -338199.2487 23196.7962 0.0000 0.0000 45041.3373 -222440.8560 163.8480 -267482.1933 -222052.5263 163.8480 -4466.2393 -2305.6733 921491.4634 -4466.2393 -2305.6733
ENERGY: 482 22186.3469 19466.6794 5728.4964 190.3598 -338044.5425 23192.7478 0.0000 0.0000 44865.8525 -222414.0597 163.2096 -267279.9122 -222051.4110 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1416 19511.5744 5729.5660 189.3227 -337426.2191 23165.8743 0.0000 0.0000 44861.8974 -222414.8427 163.1953 -267276.7401 -222048.7669 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8928 19631.1938 5730.2465 187.5455 -336590.8894 23126.1354 0.0000 0.0000 45003.6037 -222451.2717 163.7107 -267454.8754 -222059.8742 163.7107 -1565.2426 -2143.1850 921491.4634 -1565.2426 -2143.1850
ENERGY: 485 19688.7722 19800.2991 5730.5256 185.2458 -335902.5875 23092.8473 0.0000 0.0000 44955.5731 -222449.3246 163.5360 -267404.8976 -222045.9605 163.5360 -422.1571 -2086.8736 921491.4634 -422.1571 -2086.8736
ENERGY: 486 19602.5428 19954.8176 5729.7198 182.4662 -335612.3577 23080.3810 0.0000 0.0000 44645.9122 -222416.5181 162.4096 -267062.4304 -222044.6760 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0927 20072.0213 5727.4347 179.4360 -335846.4491 23091.0546 0.0000 0.0000 44503.3499 -222392.0599 161.8910 -266895.4098 -222045.2407 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2100 20156.1361 5723.5441 176.4338 -336552.5461 23118.8618 0.0000 0.0000 44827.0563 -222425.3040 163.0685 -267252.3602 -222057.1937 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8873 20236.4608 5718.5749 173.8639 -337540.4665 23156.7312 0.0000 0.0000 45266.1013 -222461.8471 164.6656 -267727.9484 -222045.6084 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 21410.7490 20292.9021 5712.8912 171.8438 -338458.1372 23196.4879 0.0000 0.0000 45213.5640 -222459.6992 164.4745 -267673.2632 -222048.2206 164.4745 -3823.4038 -2437.4155 921491.4634 -3823.4038 -2437.4155
ENERGY: 491 22430.4641 20312.1360 5707.3795 170.5404 -338984.5806 23226.0939 0.0000 0.0000 44733.0101 -222404.9567 162.7264 -267137.9668 -222049.4636 162.7264 -4629.6934 -2524.6215 921491.4634 -4629.6934 -2524.6215
ENERGY: 492 22612.9550 20289.6810 5702.9944 170.0207 -338937.5829 23232.7207 0.0000 0.0000 44542.1962 -222387.0148 162.0323 -266929.2110 -222060.3858 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2192 20260.7375 5700.7779 170.3200 -338358.0648 23214.0538 0.0000 0.0000 45033.8240 -222420.1323 163.8207 -267453.9563 -222046.5898 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3370 20225.0263 5700.9805 171.2193 -337454.3850 23183.0797 0.0000 0.0000 45622.2485 -222483.4937 165.9612 -268105.7422 -222044.0865 165.9612 -2500.8995 -2482.1069 921491.4634 -2500.8995 -2482.1069
ENERGY: 495 19383.2466 20186.8303 5703.5926 172.5416 -336566.9902 23159.4627 0.0000 0.0000 45484.1241 -222477.1923 165.4587 -267961.3164 -222041.5561 165.4587 -1249.6840 -2407.3057 921491.4634 -1249.6840 -2407.3057
ENERGY: 496 19722.4836 20130.6475 5708.0350 174.0933 -335998.7175 23154.2638 0.0000 0.0000 44699.5280 -222409.6662 162.6046 -267109.1942 -222049.0672 162.6046 -478.9001 -2343.4754 921491.4634 -478.9001 -2343.4754
ENERGY: 497 20212.6670 20059.9178 5713.4613 175.7242 -335952.5060 23166.3549 0.0000 0.0000 44261.0297 -222363.3512 161.0095 -266624.3809 -222042.7502 161.0095 -421.0235 -2316.7931 921491.4634 -421.0235 -2316.7931
ENERGY: 498 20182.0166 19957.1217 5718.5596 177.2604 -336366.4949 23189.3589 0.0000 0.0000 44728.2543 -222413.9235 162.7091 -267142.1778 -222044.5222 162.7091 -993.4680 -2331.6475 921491.4634 -993.4680 -2331.6475
ENERGY: 499 20158.0678 19847.7309 5722.4089 178.6361 -337058.4840 23219.2408 0.0000 0.0000 45439.2653 -222493.1341 165.2956 -267932.3994 -222047.2064 165.2956 -2020.8687 -2376.3392 921491.4634 -2020.8687 -2376.3392
Info: Benchmark time: 4 CPUs 0.457544 s/step 5.29565 days/ns 3224.1 MB memory
TIMING: 500 CPU: 234.384, 0.454284/step Wall: 234.384, 0.454284/step, 0 hours remaining, 3224.097656 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 19756.6583 5724.4523 179.8271 -337741.4205 23251.1013 0.0000 0.0000 45359.0788 -222495.4091 165.0039 -267854.4879 -222061.0909 165.0039 -3197.5166 -2425.4142 921491.4634 -3197.5166 -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, 3229.547 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.547 MB of memory in use
====================================================
WallClock: 241.192230 CPUTime: 241.192230 Memory: 3229.546875 MB
[Partition 0][Node 0] End of program
Application 102683669 resources: utime ~948s, stime ~18s, Rss ~126960, inblocks ~67012, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6293267322443525915.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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