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 ============== 55.3364
LDB: Largest compute 200 load 0.429180 is 1.2% of average load 36.910303
LDB: Average compute 0.051719 is 0.1% of average load 36.910303
LDB: Partitioning computes with target load 3.691030
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055577
LDB: ============== END OF LOAD BALANCING =============== 55.3386
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 55.3394
Info: Initial time: 4 CPUs 0.473718 s/step 5.48285 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.3441, 0.472747/step Wall: 48.3441, 0.472747/step, 0.0525274 hours remaining, 3221.566406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.7764
LDB: ============== END OF LOAD BALANCING =============== 64.7764
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.7769
TIMING: 120 CPU: 57.7783, 0.471708/step Wall: 57.7783, 0.471708/step, 0.0497914 hours remaining, 3221.835938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8741 155.6399 -265125.8380 -222213.1817 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2096, 0.471568/step Wall: 67.2096, 0.471568/step, 0.0471568 hours remaining, 3222.019531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.6309, 0.471065/step Wall: 76.6309, 0.471065/step, 0.0444895 hours remaining, 3222.164062 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: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6499 20887.8857 0.0000 0.0000 43070.6068 -222342.9106 156.6790 -265413.5174 -222161.4908 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8226 20884.6196 0.0000 0.0000 43005.6963 -222309.0506 156.4429 -265314.7469 -222160.7802 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3350 -222325.8216 154.5754 -264818.1566 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0014 21574.3800 5797.0542 201.1981 -335480.2501 21017.8094 0.0000 0.0000 43834.2688 -222570.5382 159.4570 -266404.8070 -222135.2420 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0276 162.6882 -267190.5396 -222127.3368 162.6882 -2658.3219 -2727.5043 921491.4634 -2658.3219 -2727.5043
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ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9823 156.7902 -265416.1367 -222126.1320 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.0396, 0.470432/step Wall: 86.0396, 0.470432/step, 0.0418162 hours remaining, 3222.316406 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: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0938 21043.7460 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3671 19122.7581 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3653 -222242.4587 154.8738 -264816.8240 -222086.7179 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1534 0.0000 0.0000 43911.2863 -222391.0320 159.7372 -266302.3183 -222090.4391 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 102.443
LDB: Largest compute 200 load 0.424888 is 1.2% of average load 36.727567
LDB: Average compute 0.051453 is 0.1% of average load 36.727567
LDB: TIME 102.445 LOAD: AVG 36.7276 MAX 37.6663 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 102.447 LOAD: AVG 36.7276 MAX 37.5624 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 102.449
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.452
Info: Initial time: 4 CPUs 0.471 s/step 5.45139 days/ns 3223.32 MB memory
TIMING: 200 CPU: 95.4541, 0.470728/step Wall: 95.4541, 0.470728/step, 0.0392274 hours remaining, 3223.316406 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 18595.6349 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8525 -2703.6812 921491.4634 -5241.8525 -2703.6812
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7131 21239.1341 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2004 -2661.1900 921491.4634 -4546.2004 -2661.1900
ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5587 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9372 21215.8255 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2199 21188.8404 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4529 -222116.7002 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2551 21197.9187 0.0000 0.0000 44690.7149 -222526.2117 162.5725 -267216.9266 -222099.8061 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8032 20338.2889 5726.5434 185.3060 -333603.9791 21289.9002 0.0000 0.0000 42143.6914 -222226.4459 153.3072 -264370.1373 -222103.0933 153.3072 -1896.3477 -2585.9682 921491.4634 -1896.3477 -2585.9682
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2376 21322.2411 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8134 -222122.6312 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2412 21349.5045 0.0000 0.0000 46273.6802 -222642.3813 168.3309 -268916.0615 -222106.7898 168.3309 -5197.7273 -2836.6305 921491.4634 -5197.7273 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7767 21385.1097 0.0000 0.0000 45251.4335 -222516.0280 164.6123 -267767.4615 -222108.2014 164.6123 -6091.3662 -2896.2626 921491.4634 -6091.3662 -2896.2626
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8926 21415.1478 0.0000 0.0000 43031.7285 -222254.1126 156.5376 -265285.8411 -222106.8539 156.5376 -5900.2977 -2885.1009 921491.4634 -5900.2977 -2885.1009
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6229 21412.5984 0.0000 0.0000 42995.1637 -222249.7028 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6445 21380.5553 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5664 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1062 21436.4837 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5105 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1149 21546.6562 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2197 -222068.8154 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.905, 0.472528/step Wall: 104.905, 0.472528/step, 0.0367522 hours remaining, 3223.316406 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: 238 19419.4413 19404.0883 5740.6977 175.0128 -333964.3151 21778.9044 0.0000 0.0000 44901.2438 -222544.9268 163.3384 -267446.1706 -222065.9776 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
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TIMING: 240 CPU: 114.347, 0.472113/step Wall: 114.347, 0.472113/step, 0.034097 hours remaining, 3223.316406 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 22861.0421 20119.9135 5760.6909 171.4213 -335766.3626 21854.4253 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0952 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0054 20195.4873 5762.7124 169.9828 -336129.3252 21865.1032 0.0000 0.0000 41957.8935 -222258.1406 152.6313 -264216.0341 -222063.9158 152.6313 -4724.4492 -2616.3453 921491.4634 -4724.4492 -2616.3453
ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6445 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0691 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1663 -222554.1194 165.9864 -268183.2857 -222078.7770 165.9864 -2667.7297 -2573.2150 921491.4634 -2667.7297 -2573.2150
ENERGY: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1166 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4183 -222284.3177 158.6063 -265884.7360 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6228 -222090.3127 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2675 21826.9296 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2175 -222091.3305 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1804 21784.0537 0.0000 0.0000 45520.0192 -222581.3411 165.5893 -268101.3603 -222082.7205 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8795 21752.6524 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4100 5707.6062 196.0620 -333099.9231 21746.1515 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4048 -222071.2738 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0037 21780.2419 0.0000 0.0000 44488.5468 -222428.4889 161.8371 -266917.0357 -222060.1682 161.8371 -2035.5361 -2692.1441 921491.4634 -2035.5361 -2692.1441
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1544 21817.5078 0.0000 0.0000 45796.2577 -222556.7760 166.5942 -268353.0338 -222062.0606 166.5942 -2331.2328 -2737.1919 921491.4634 -2331.2328 -2737.1919
ENERGY: 259 20717.7710 18984.1029 5671.3007 192.3773 -335369.5276 21871.0066 0.0000 0.0000 45431.1554 -222501.8137 165.2661 -267932.9691 -222063.7305 165.2661 -2890.3671 -2780.4960 921491.4634 -2890.3671 -2780.4960
TIMING: 260 CPU: 123.779, 0.47162/step Wall: 123.779, 0.47162/step, 0.0314413 hours remaining, 3223.621094 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 22744.9544 19188.2463 5675.1875 191.0393 -336169.7728 21924.7893 0.0000 0.0000 44083.4304 -222362.1255 160.3634 -266445.5559 -222069.6812 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2723 19814.6777 5694.0656 188.7122 -336291.7857 21947.6074 0.0000 0.0000 44601.6346 -222438.8159 162.2485 -267040.4505 -222052.4322 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1227 20140.5621 5703.8103 187.9445 -335614.9711 21924.4740 0.0000 0.0000 45349.7772 -222527.2803 164.9700 -267877.0575 -222051.1546 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8701 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5708 -222054.3634 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0906 20691.2679 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3812 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5375 -222504.2923 163.0557 -267327.8298 -222075.9874 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -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 -336650.6774 22028.8071 0.0000 0.0000 44308.0074 -222365.2737 161.1804 -266673.2811 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7891 22035.2501 0.0000 0.0000 44829.4472 -222406.5211 163.0772 -267235.9683 -222066.8385 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5583 18896.0660 5692.8269 184.9335 -335921.4611 22015.0580 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7008 21985.5296 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 275 20005.4317 19374.0679 5703.3424 182.5376 -333318.5599 21960.8300 0.0000 0.0000 43741.9682 -222350.3822 159.1213 -266092.3503 -222065.7689 159.1213 -1269.7930 -2374.8869 921491.4634 -1269.7930 -2374.8869
ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1280 21971.0410 0.0000 0.0000 44028.5270 -222412.2140 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8110 -222481.8217 162.3619 -267114.6327 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2539 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3651 19593.9431 5677.5176 184.5187 -335888.5802 22096.4199 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.196, 0.470857/step Wall: 133.196, 0.470857/step, 0.0287746 hours remaining, 3223.621094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9202 22171.0649 0.0000 0.0000 45328.8522 -222487.2586 164.8939 -267816.1107 -222060.8459 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8229 -334658.1150 22176.6863 0.0000 0.0000 43785.6881 -222425.2212 159.2803 -266210.9093 -222054.0582 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7825 5731.9346 184.4714 -334918.1482 22200.2910 0.0000 0.0000 44282.9437 -222485.6058 161.0892 -266768.5496 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2090 20475.2852 5736.9557 182.7335 -335468.3149 22237.9038 0.0000 0.0000 44116.9904 -222455.2374 160.4855 -266572.2278 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 149.622
LDB: Largest compute 200 load 0.524074 is 1.1% of average load 45.846099
LDB: Average compute 0.064231 is 0.1% of average load 45.846099
LDB: TIME 149.624 LOAD: AVG 45.8461 MAX 47.1699 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.82 MB
LDB: TIME 149.625 LOAD: AVG 45.8461 MAX 47.1699 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3223.82 MB
LDB: TIME 149.637 LOAD: AVG 45.8461 MAX 46.3561 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.82 MB
LDB: ============== END OF LOAD BALANCING =============== 149.638
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.64
Info: Initial time: 4 CPUs 0.471396 s/step 5.45598 days/ns 3223.82 MB memory
TIMING: 300 CPU: 142.611, 0.470746/step Wall: 142.611, 0.470746/step, 0.0261526 hours remaining, 3223.820312 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: 151.853, 0.462084/step Wall: 151.853, 0.462084/step, 0.0231042 hours remaining, 3223.820312 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: 161.092, 0.461957/step Wall: 161.092, 0.461957/step, 0.0205314 hours remaining, 3223.820312 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: 170.321, 0.461445/step Wall: 170.321, 0.461445/step, 0.0179451 hours remaining, 3223.820312 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 19323.8974 19612.6012 5699.8913 181.0103 -336175.1999 22790.5191 0.0000 0.0000 46034.3490 -222532.9315 167.4603 -268567.2805 -222068.5920 167.4603 -1420.0426 -2476.3758 921491.4634 -1420.0426 -2476.3758
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ENERGY: 368 20561.5938 19748.2119 5739.6691 179.8275 -335728.0869 22808.6650 0.0000 0.0000 44272.8404 -222417.2792 161.0524 -266690.1196 -222068.2911 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4609 20251.1593 5706.5521 182.3248 -335763.5799 22794.3771 0.0000 0.0000 43848.2755 -222334.4301 159.5080 -266182.7056 -222041.4012 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8101 20495.6595 5711.4639 183.2952 -336584.2278 22821.5834 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4157 -222044.3966 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.547, 0.461309/step Wall: 179.547, 0.461309/step, 0.015377 hours remaining, 3223.820312 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: 383 21263.6994 19910.9246 5714.6670 180.7420 -337128.0230 22911.2843 0.0000 0.0000 44707.9448 -222438.7610 162.6352 -267146.7058 -222048.1879 162.6352 -2023.0804 -2294.0133 921491.4634 -2023.0804 -2294.0133
ENERGY: 384 19625.4113 19596.0354 5710.5349 179.0647 -336052.0490 22884.2532 0.0000 0.0000 45539.1837 -222517.5659 165.6590 -268056.7496 -222062.0926 165.6590 -569.2381 -2166.9360 921491.4634 -569.2381 -2166.9360
ENERGY: 385 19327.8180 19356.8912 5707.7751 177.4354 -335210.6404 22871.6142 0.0000 0.0000 45299.7175 -222469.3890 164.7879 -267769.1065 -222051.0994 164.7879 215.3514 -2064.3638 921491.4634 215.3514 -2064.3638
ENERGY: 386 19981.2274 19220.9465 5707.6637 175.9384 -334865.1821 22880.7956 0.0000 0.0000 44519.8588 -222378.7516 161.9510 -266898.6105 -222051.0438 161.9510 122.6668 -2011.2430 921491.4634 122.6668 -2011.2430
ENERGY: 387 20367.2862 19202.4845 5710.9354 174.6759 -335109.8729 22905.2742 0.0000 0.0000 44377.1817 -222372.0350 161.4320 -266749.2167 -222053.0051 161.4320 -738.9586 -2019.1690 921491.4634 -738.9586 -2019.1690
ENERGY: 388 20282.3989 19280.0167 5717.2934 173.7038 -335824.1517 22938.2899 0.0000 0.0000 44972.7762 -222459.6728 163.5986 -267432.4490 -222067.4814 163.5986 -2063.8555 -2076.2821 921491.4634 -2063.8555 -2076.2821
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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 20200.7711 5721.4919 176.2273 -336102.8175 22990.0376 0.0000 0.0000 44712.8672 -222394.6440 162.6531 -267107.5111 -222042.6598 162.6531 -376.0861 -2327.2101 921491.4634 -376.0861 -2327.2101
ENERGY: 398 19692.8116 20133.3592 5716.9814 176.0456 -336812.3379 23014.0587 0.0000 0.0000 45592.7320 -222486.3494 165.8538 -268079.0814 -222045.7221 165.8538 -1710.2236 -2443.6964 921491.4634 -1710.2236 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 195.803
LDB: Largest compute 230 load 0.525207 is 1.1% of average load 45.782374
LDB: Average compute 0.064120 is 0.1% of average load 45.782374
LDB: TIME 195.805 LOAD: AVG 45.7824 MAX 46.1638 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3223.82 MB
LDB: TIME 195.806 LOAD: AVG 45.7824 MAX 46.1638 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.82 MB
LDB: TIME 195.806 LOAD: AVG 45.7824 MAX 46.1638 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3223.82 MB
LDB: ============== END OF LOAD BALANCING =============== 195.807
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.807
Info: Benchmark time: 4 CPUs 0.461576 s/step 5.34232 days/ns 3223.82 MB memory
TIMING: 400 CPU: 188.773, 0.461291/step Wall: 188.773, 0.461291/step, 0.0128136 hours remaining, 3223.820312 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 -338107.6287 23109.6381 0.0000 0.0000 44436.8095 -222391.4890 161.6489 -266828.2984 -222049.2225 161.6489 -4939.3794 -2681.7023 921491.4634 -4939.3794 -2681.7023
ENERGY: 403 20784.9695 19778.4828 5715.7218 174.2695 -337239.9784 23077.8405 0.0000 0.0000 45225.5959 -222483.0984 164.5183 -267708.6943 -222046.6854 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
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ENERGY: 408 19735.8471 19387.6643 5692.2152 187.5226 -335902.8219 23017.8177 0.0000 0.0000 45394.4118 -222487.3432 165.1324 -267881.7550 -222063.5312 165.1324 -920.8280 -2294.1554 921491.4634 -920.8280 -2294.1554
ENERGY: 409 20350.1188 19376.4605 5688.4775 191.1593 -336896.6848 23057.9926 0.0000 0.0000 45733.6057 -222498.8704 166.3663 -268232.4761 -222051.6705 166.3663 -2367.4919 -2346.9324 921491.4634 -2367.4919 -2346.9324
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 -337872.5320 23125.1119 0.0000 0.0000 45113.2140 -222465.8868 164.1095 -267579.1008 -222055.3452 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
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ENERGY: 415 19745.2666 20572.1261 5708.7452 198.1487 -336456.1974 23071.1994 0.0000 0.0000 44733.2271 -222427.4843 162.7272 -267160.7114 -222049.0345 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3170 20661.9898 5710.0857 195.6954 -336157.5863 23063.1717 0.0000 0.0000 44200.2847 -222384.0420 160.7885 -266584.3266 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
ENERGY: 417 20031.3751 20631.3211 5709.0494 192.4696 -336373.1077 23072.1101 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7825 -222044.6992 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6537 -336970.7869 23098.6728 0.0000 0.0000 44915.1422 -222450.9777 163.3889 -267366.1199 -222046.7092 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6055 -337717.8758 23139.8025 0.0000 0.0000 45250.3102 -222466.3612 164.6082 -267716.6714 -222049.5949 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.975, 0.460082/step Wall: 197.975, 0.460082/step, 0.010224 hours remaining, 3223.820312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8986 19324.4273 5689.6736 172.2146 -337416.8958 23180.6040 0.0000 0.0000 45183.9714 -222447.1064 164.3669 -267631.0777 -222051.5233 164.3669 -3955.8309 -2434.9306 921491.4634 -3955.8309 -2434.9306
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ENERGY: 425 19942.3360 19314.5608 5697.3263 169.6877 -335607.5207 23103.7919 0.0000 0.0000 44956.0482 -222423.7697 163.5377 -267379.8180 -222050.7963 163.5377 -1980.9653 -2297.0090 921491.4634 -1980.9653 -2297.0090
ENERGY: 426 19603.3347 19432.3069 5702.4947 169.0990 -335270.6877 23080.2891 0.0000 0.0000 44862.7386 -222420.4246 163.1983 -267283.1632 -222049.1089 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5317 19595.2897 5707.1504 168.7509 -335498.4320 23074.5005 0.0000 0.0000 44915.2777 -222438.9310 163.3894 -267354.2087 -222048.7338 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9853 23087.7675 0.0000 0.0000 44884.2599 -222448.1296 163.2766 -267332.3895 -222058.0549 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -2206.9584
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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 20024.3736 5712.1700 168.1897 -338096.9206 23149.4491 0.0000 0.0000 44626.3103 -222402.4406 162.3383 -267028.7509 -222047.3914 162.3383 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3706 20188.6724 5710.3546 168.1086 -338651.2104 23176.0843 0.0000 0.0000 45177.9911 -222461.6286 164.3451 -267639.6197 -222065.9059 164.3451 -3350.2745 -2296.1498 921491.4634 -3350.2745 -2296.1498
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0639 23162.2908 0.0000 0.0000 45192.9285 -222453.1312 164.3995 -267646.0597 -222052.5983 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3412 20338.1501 5711.6061 169.3247 -337394.2704 23140.7732 0.0000 0.0000 44883.0998 -222420.9753 163.2724 -267304.0751 -222051.1464 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6554 23123.4094 0.0000 0.0000 44675.9840 -222398.7945 162.5190 -267074.7785 -222049.5890 162.5190 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9242 20349.9983 5717.2345 173.0864 -336303.8808 23119.9075 0.0000 0.0000 44847.0983 -222425.6316 163.1414 -267272.7299 -222059.6959 163.1414 -1520.6596 -2145.1617 921491.4634 -1520.6596 -2145.1617
ENERGY: 437 19434.5515 20329.5093 5720.9893 175.9827 -336411.9780 23136.3865 0.0000 0.0000 45159.2687 -222455.2900 164.2770 -267614.5587 -222050.7502 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1530 20278.6096 5724.6883 179.3849 -336899.4572 23173.5516 0.0000 0.0000 45148.1324 -222459.9373 164.2365 -267608.0697 -222051.5668 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 207.163, 0.459421/step Wall: 207.163, 0.459421/step, 0.00765702 hours remaining, 3223.820312 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 22071.5684 20036.2372 5729.7527 186.7202 -338123.1806 23276.2483 0.0000 0.0000 44417.5459 -222405.1081 161.5788 -266822.6540 -222059.4775 161.5788 -2408.4614 -2197.9671 921491.4634 -2408.4614 -2197.9671
ENERGY: 441 22355.5488 19860.0409 5730.3487 190.1146 -338361.1716 23313.2042 0.0000 0.0000 44502.6963 -222409.2181 161.8886 -266911.9144 -222050.0862 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6120 19664.5349 5729.4854 192.9412 -338090.1535 23327.1565 0.0000 0.0000 44880.6319 -222441.7915 163.2634 -267322.4235 -222049.7757 163.2634 -2710.5578 -2229.0696 921491.4634 -2710.5578 -2229.0696
ENERGY: 443 21064.3317 19487.0723 5727.6164 194.9329 -337369.3152 23320.0155 0.0000 0.0000 45118.1107 -222457.2356 164.1273 -267575.3463 -222048.5998 164.1273 -2448.1650 -2220.3531 921491.4634 -2448.1650 -2220.3531
ENERGY: 444 20449.3364 19357.2690 5725.4095 195.8735 -336464.1922 23301.5274 0.0000 0.0000 44987.7177 -222447.0588 163.6530 -267434.7766 -222057.9798 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2517 5723.6513 195.6942 -335759.3913 23283.8136 0.0000 0.0000 44708.7155 -222414.7042 162.6380 -267123.4197 -222046.5428 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9005 5722.5429 194.3235 -335494.5707 23276.0449 0.0000 0.0000 44620.2946 -222408.7839 162.3164 -267029.0785 -222046.1621 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2847 19416.0209 5722.2107 191.8642 -335769.4399 23282.7456 0.0000 0.0000 44816.5090 -222425.8050 163.0301 -267242.3140 -222046.8343 163.0301 -1993.3111 -2253.0603 921491.4634 -1993.3111 -2253.0603
ENERGY: 448 20187.5919 19583.6799 5722.5764 188.5554 -336503.1801 23303.8902 0.0000 0.0000 45065.6677 -222451.2186 163.9365 -267516.8863 -222059.3481 163.9365 -2372.1877 -2303.7899 921491.4634 -2372.1877 -2303.7899
ENERGY: 449 20877.4059 19832.6986 5723.5712 184.8596 -337500.9074 23334.5921 0.0000 0.0000 45101.1680 -222446.6119 164.0657 -267547.7800 -222047.7099 164.0657 -2827.1082 -2356.1408 921491.4634 -2827.1082 -2356.1408
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 -338419.3253 23364.6241 0.0000 0.0000 44854.3098 -222432.2086 163.1677 -267286.5184 -222048.7861 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
ENERGY: 451 22355.5904 20357.7256 5724.7144 177.6517 -338952.0913 23381.8006 0.0000 0.0000 44542.6987 -222411.9100 162.0341 -266954.6088 -222048.8246 162.0341 -3074.2535 -2405.7798 921491.4634 -3074.2535 -2405.7798
ENERGY: 452 22246.2016 20536.0135 5723.8953 174.8859 -338927.1546 23378.0942 0.0000 0.0000 44452.9197 -222415.1443 161.7075 -266868.0640 -222059.6374 161.7075 -2659.9609 -2384.7569 921491.4634 -2659.9609 -2384.7569
ENERGY: 453 21399.8727 20641.1312 5722.2878 173.1350 -338392.7943 23354.5906 0.0000 0.0000 44683.7035 -222418.0734 162.5470 -267101.7769 -222043.5375 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1422 23320.6901 0.0000 0.0000 45008.1466 -222443.2445 163.7273 -267451.3912 -222041.8395 163.7273 -1453.4580 -2293.1452 921491.4634 -1453.4580 -2293.1452
ENERGY: 455 19486.7907 20584.7120 5718.4844 172.5169 -336790.6459 23290.4023 0.0000 0.0000 45086.5789 -222451.1607 164.0126 -267537.7396 -222040.8573 164.0126 -1151.8824 -2255.8573 921491.4634 -1151.8824 -2255.8573
ENERGY: 456 19493.3720 20440.6800 5717.7556 173.4248 -336350.1081 23274.9631 0.0000 0.0000 44811.4727 -222438.4398 163.0118 -267249.9125 -222055.3489 163.0118 -1305.5004 -2245.5825 921491.4634 -1305.5004 -2245.5825
ENERGY: 457 20047.4927 20251.9435 5718.5580 174.9241 -336395.8170 23277.8274 0.0000 0.0000 44521.8707 -222403.2005 161.9583 -266925.0713 -222049.4135 161.9583 -1906.4165 -2263.5015 921491.4634 -1906.4165 -2263.5015
ENERGY: 458 20585.8433 20019.2723 5720.7061 176.6081 -336835.0965 23294.7172 0.0000 0.0000 44632.7891 -222405.1602 162.3618 -267037.9493 -222051.2825 162.3618 -2684.6989 -2301.0429 921491.4634 -2684.6989 -2301.0429
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TIMING: 460 CPU: 216.348, 0.459247/step Wall: 216.348, 0.459247/step, 0.00510274 hours remaining, 3223.820312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9065 5728.0972 179.4910 -338014.3771 23341.8001 0.0000 0.0000 45423.8567 -222480.6116 165.2395 -267904.4683 -222064.6835 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
ENERGY: 461 21862.8765 19507.1077 5732.5753 180.4333 -338251.6221 23355.3935 0.0000 0.0000 45154.6139 -222458.6219 164.2601 -267613.2358 -222058.0506 164.2601 -3556.1669 -2361.1800 921491.4634 -3556.1669 -2361.1800
ENERGY: 462 22264.2257 19487.8111 5736.4823 180.9531 -337988.7175 23351.1087 0.0000 0.0000 44559.9293 -222408.2074 162.0968 -266968.1367 -222056.7213 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1033 23326.9478 0.0000 0.0000 44313.4572 -222388.5652 161.2002 -266702.0224 -222054.6241 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2461 19559.9274 5739.2518 181.0096 -336389.3845 23291.1943 0.0000 0.0000 44654.0268 -222428.7285 162.4391 -267082.7554 -222058.5730 162.4391 -1050.9227 -2205.5269 921491.4634 -1050.9227 -2205.5269
ENERGY: 465 19322.7826 19631.8855 5737.2899 180.7155 -335701.1538 23259.7392 0.0000 0.0000 45094.5689 -222474.1721 164.0416 -267568.7410 -222052.9389 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4509 19708.3582 5733.2107 180.2808 -335443.7729 23245.0605 0.0000 0.0000 45020.7910 -222467.6207 163.7733 -267488.4117 -222052.9786 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8069 19783.1744 5727.6704 179.7757 -335721.0954 23249.4531 0.0000 0.0000 44523.6667 -222415.5483 161.9649 -266939.2150 -222054.3496 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8482 19845.4943 5721.5089 179.2779 -336451.5669 23265.8127 0.0000 0.0000 44291.6586 -222385.9663 161.1209 -266677.6249 -222056.3591 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3016 19910.2022 5715.6824 178.8504 -337458.3205 23284.3963 0.0000 0.0000 44720.3203 -222412.5672 162.6802 -267132.8876 -222046.0750 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8935 5710.9491 178.5947 -338383.2512 23297.0674 0.0000 0.0000 45346.4576 -222466.1156 164.9579 -267812.5732 -222047.6089 164.9579 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8679 20054.6836 5707.9626 178.5890 -338913.2457 23297.5087 0.0000 0.0000 45471.3368 -222470.2971 165.4122 -267941.6339 -222047.5359 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2363 20161.5552 5707.0091 178.9047 -338870.6773 23279.4494 0.0000 0.0000 45028.5298 -222433.9929 163.8014 -267462.5227 -222059.5058 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1364 20289.3426 5707.9843 179.6165 -338307.7197 23240.7366 0.0000 0.0000 44634.5174 -222389.3859 162.3681 -267023.9033 -222043.8540 162.3681 -2556.3617 -2408.1658 921491.4634 -2556.3617 -2408.1658
ENERGY: 474 20842.9706 20372.0986 5710.2160 180.7467 -337438.4558 23189.2351 0.0000 0.0000 44733.2307 -222409.9582 162.7272 -267143.1888 -222041.2620 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2318 23142.3821 0.0000 0.0000 45070.2139 -222450.4216 163.9531 -267520.6356 -222039.4530 163.9531 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7861 20282.0275 5715.7683 184.0125 -336100.0908 23115.8469 0.0000 0.0000 45106.0633 -222460.5861 164.0835 -267566.6494 -222053.6137 164.0835 -92.4048 -2183.0652 921491.4634 -92.4048 -2183.0652
ENERGY: 477 19704.7249 20145.9814 5718.4976 185.9230 -336101.8793 23114.2942 0.0000 0.0000 44812.3207 -222420.1374 163.0149 -267232.4581 -222044.8411 163.0149 -667.4944 -2171.8228 921491.4634 -667.4944 -2171.8228
ENERGY: 478 20493.4777 19974.7639 5721.0254 187.7262 -336537.4038 23131.2463 0.0000 0.0000 44627.0329 -222402.1314 162.3409 -267029.1643 -222047.4106 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3058 19793.3957 5723.3295 189.2099 -337215.5839 23156.6774 0.0000 0.0000 44802.1574 -222425.5082 162.9779 -267227.6656 -222050.5459 162.9779 -3089.8515 -2246.7916 921491.4634 -3089.8515 -2246.7916
TIMING: 480 CPU: 225.528, 0.459003/step Wall: 225.528, 0.459003/step, 0.00255002 hours remaining, 3223.820312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0326 19623.1966 5725.3111 190.1901 -337854.6785 23181.5121 0.0000 0.0000 45051.6811 -222458.7550 163.8856 -267510.4361 -222064.6209 163.8856 -4077.7326 -2291.4891 921491.4634 -4077.7326 -2291.4891
ENERGY: 481 22092.4853 19510.0435 5727.0952 190.6351 -338199.2480 23196.7962 0.0000 0.0000 45041.3364 -222440.8563 163.8480 -267482.1928 -222052.5266 163.8480 -4466.2394 -2305.6732 921491.4634 -4466.2394 -2305.6732
ENERGY: 482 22186.3468 19466.6796 5728.4964 190.3598 -338044.5418 23192.7477 0.0000 0.0000 44865.8515 -222414.0601 163.2096 -267279.9116 -222051.4113 163.2096 -4059.3097 -2278.0614 921491.4634 -4059.3097 -2278.0614
ENERGY: 483 21553.1415 19511.5746 5729.5660 189.3227 -337426.2185 23165.8743 0.0000 0.0000 44861.8964 -222414.8430 163.1952 -267276.7393 -222048.7672 163.1952 -2964.1722 -2216.4115 921491.4634 -2964.1722 -2216.4115
ENERGY: 484 20460.8928 19631.1940 5730.2465 187.5455 -336590.8888 23126.1354 0.0000 0.0000 45003.6026 -222451.2720 163.7107 -267454.8746 -222059.8745 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7721 19800.2992 5730.5256 185.2458 -335902.5870 23092.8473 0.0000 0.0000 44955.5721 -222449.3249 163.5360 -267404.8970 -222045.9608 163.5360 -422.1569 -2086.8736 921491.4634 -422.1569 -2086.8736
ENERGY: 486 19602.5426 19954.8176 5729.7198 182.4662 -335612.3572 23080.3810 0.0000 0.0000 44645.9115 -222416.5184 162.4096 -267062.4299 -222044.6763 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0925 20072.0213 5727.4347 179.4360 -335846.4486 23091.0547 0.0000 0.0000 44503.3492 -222392.0602 161.8910 -266895.4095 -222045.2410 161.8910 -192.2347 -2106.8842 921491.4634 -192.2347 -2106.8842
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5454 23118.8619 0.0000 0.0000 44827.0556 -222425.3040 163.0685 -267252.3596 -222057.1937 163.0685 -1145.7534 -2194.6680 921491.4634 -1145.7534 -2194.6680
ENERGY: 489 20526.8873 20236.4609 5718.5749 173.8639 -337540.4659 23156.7313 0.0000 0.0000 45266.1005 -222461.8471 164.6656 -267727.9476 -222045.6084 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -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 20292.9022 5712.8912 171.8438 -338458.1365 23196.4880 0.0000 0.0000 45213.5632 -222459.6992 164.4745 -267673.2623 -222048.2206 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4640 20312.1362 5707.3795 170.5404 -338984.5799 23226.0939 0.0000 0.0000 44733.0093 -222404.9567 162.7264 -267137.9660 -222049.4637 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9548 20289.6812 5702.9944 170.0208 -338937.5823 23232.7207 0.0000 0.0000 44542.1954 -222387.0150 162.0323 -266929.2104 -222060.3860 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2189 20260.7376 5700.7779 170.3201 -338358.0640 23214.0538 0.0000 0.0000 45033.8232 -222420.1326 163.8207 -267453.9558 -222046.5900 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3367 20225.0263 5700.9806 171.2193 -337454.3841 23183.0796 0.0000 0.0000 45622.2477 -222483.4939 165.9612 -268105.7416 -222044.0867 165.9612 -2500.8994 -2482.1070 921491.4634 -2500.8994 -2482.1070
ENERGY: 495 19383.2463 20186.8302 5703.5926 172.5416 -336566.9891 23159.4625 0.0000 0.0000 45484.1234 -222477.1925 165.4587 -267961.3159 -222041.5563 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4833 20130.6473 5708.0350 174.0933 -335998.7160 23154.2635 0.0000 0.0000 44699.5274 -222409.6661 162.6046 -267109.1935 -222049.0671 162.6046 -478.8999 -2343.4753 921491.4634 -478.8999 -2343.4753
ENERGY: 497 20212.6668 20059.9176 5713.4613 175.7242 -335952.5045 23166.3545 0.0000 0.0000 44261.0290 -222363.3512 161.0095 -266624.3802 -222042.7502 161.0095 -421.0234 -2316.7930 921491.4634 -421.0234 -2316.7930
ENERGY: 498 20182.0166 19957.1214 5718.5597 177.2604 -336366.4935 23189.3584 0.0000 0.0000 44728.2535 -222413.9235 162.7091 -267142.1770 -222044.5221 162.7091 -993.4681 -2331.6474 921491.4634 -993.4681 -2331.6474
ENERGY: 499 20158.0679 19847.7307 5722.4090 178.6361 -337058.4825 23219.2403 0.0000 0.0000 45439.2645 -222493.1340 165.2956 -267932.3985 -222047.2064 165.2956 -2020.8689 -2376.3392 921491.4634 -2020.8689 -2376.3392
Info: Benchmark time: 4 CPUs 0.458586 s/step 5.30771 days/ns 3223.82 MB memory
TIMING: 500 CPU: 234.632, 0.455184/step Wall: 234.632, 0.455184/step, 0 hours remaining, 3223.820312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8937 19756.6582 5724.4523 179.8271 -337741.4195 23251.1007 0.0000 0.0000 45359.0779 -222495.4096 165.0039 -267854.4875 -222061.0914 165.0039 -3197.5171 -2425.4145 921491.4634 -3197.5171 -2425.4145
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, 3229.625 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.625 MB of memory in use
====================================================
WallClock: 242.554703 CPUTime: 242.554718 Memory: 3229.625000 MB
[Partition 0][Node 0] End of program
Application 110145194 resources: utime ~951s, stime ~20s, Rss ~127272, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=242.554703
CPU=242.554718
MEM=3229.625000
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins3135576871745303881.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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