Skipping 704 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 ============== 55.0756
LDB: Largest compute 200 load 0.430264 is 1.2% of average load 36.800126
LDB: Average compute 0.051550 is 0.1% of average load 36.800126
LDB: Partitioning computes with target load 3.680013
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.056080
LDB: ============== END OF LOAD BALANCING =============== 55.0777
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 55.0785
Info: Initial time: 4 CPUs 0.474356 s/step 5.49024 days/ns 3221.51 MB memory
TIMING: 100 CPU: 48.4079, 0.473391/step Wall: 48.4079, 0.473391/step, 0.052599 hours remaining, 3221.507812 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 ============== 64.5259
LDB: ============== END OF LOAD BALANCING =============== 64.526
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.5264
TIMING: 120 CPU: 57.8536, 0.472285/step Wall: 57.8536, 0.472285/step, 0.0498523 hours remaining, 3221.773438 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 21083.5325 0.0000 0.0000 42784.9639 -222340.8741 155.6399 -265125.8380 -222213.1818 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2984, 0.472237/step Wall: 67.2984, 0.472237/step, 0.0472237 hours remaining, 3221.996094 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 21695.0845 19425.3238 5743.5667 171.3409 -332829.8100 20761.5806 0.0000 0.0000 42713.6819 -222319.2317 155.3806 -265032.9136 -222157.3222 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.7282, 0.471491/step Wall: 76.7282, 0.471491/step, 0.0445297 hours remaining, 3222.175781 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 21093.2842 18859.3045 5717.0749 174.4916 -333735.9154 20833.5472 0.0000 0.0000 44515.8595 -222542.3535 161.9365 -267058.2130 -222175.6789 161.9365 -3202.8704 -2752.7604 921491.4634 -3202.8704 -2752.7604
ENERGY: 161 21561.6001 18685.5959 5704.9782 178.2042 -333710.7597 20865.7133 0.0000 0.0000 44220.7111 -222493.9569 160.8628 -266714.6680 -222160.9741 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6066 -222342.9107 156.6790 -265413.5172 -222161.4909 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9851 18346.8656 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6961 -222309.0507 156.4429 -265314.7468 -222160.7804 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
ENERGY: 164 19652.8065 18261.0400 5702.5306 194.0206 -331567.4469 20861.9109 0.0000 0.0000 44426.5344 -222468.6039 161.6115 -266895.1383 -222170.9035 161.6115 -3836.1733 -2870.4449 921491.4634 -3836.1733 -2870.4449
ENERGY: 165 18074.0951 18343.8150 5716.1638 199.2019 -331183.0466 20849.6743 0.0000 0.0000 45425.8563 -222574.2402 165.2468 -268000.0965 -222153.1699 165.2468 -2737.5186 -2867.1446 921491.4634 -2737.5186 -2867.1446
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ENERGY: 167 21026.8306 19216.2867 5755.9248 205.8794 -332212.1860 20917.6389 0.0000 0.0000 42775.8061 -222313.8196 155.6066 -265089.6258 -222150.5299 155.6066 -1671.2498 -2889.5868 921491.4634 -1671.2498 -2889.5868
ENERGY: 168 21619.4180 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7709 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4663 20870.4069 5789.9166 204.9287 -334596.5070 20994.5723 0.0000 0.0000 43600.1910 -222488.0252 158.6055 -266088.2162 -222133.5316 158.6055 -2095.8775 -2988.7947 921491.4634 -2095.8775 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 170 20485.0012 21574.3801 5797.0542 201.1981 -335480.2501 21017.8094 0.0000 0.0000 43834.2688 -222570.5383 159.4570 -266404.8071 -222135.2421 159.4570 -2696.1966 -3030.4960 921491.4634 -2696.1966 -3030.4960
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ENERGY: 176 19195.1038 18891.7629 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5120 -222468.0280 162.6882 -267190.5400 -222127.3371 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2624 -222252.6197 155.3827 -264966.8822 -222125.5138 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7898 18733.9558 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1371 -222126.1323 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.1469, 0.470933/step Wall: 86.1469, 0.470933/step, 0.0418607 hours remaining, 3222.175781 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 22149.3487 19677.1533 5722.7616 169.5349 -332921.8736 21084.4911 0.0000 0.0000 41834.8234 -222283.7607 152.1836 -264118.5841 -222131.2590 152.1836 -1990.8047 -2626.5158 921491.4634 -1990.8047 -2626.5158
ENERGY: 184 18376.8756 19424.9914 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
ENERGY: 185 16957.7744 19234.6872 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4987 -222653.6519 167.8792 -268803.1507 -222128.1657 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9579 -222129.2889 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1127 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9081 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1829 19886.6774 5676.0120 186.3502 -334382.7610 21093.9044 0.0000 0.0000 43113.1614 -222325.4727 156.8338 -265438.6342 -222135.3909 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 19755.8663 19594.9320 5717.4229 183.5644 -332319.6954 21082.8579 0.0000 0.0000 43603.6154 -222381.4365 158.6180 -265985.0520 -222096.3131 158.6180 -1480.5941 -2574.8093 921491.4634 -1480.5941 -2574.8093
ENERGY: 197 21700.3670 19122.7579 5714.1451 184.7200 -332668.2734 21129.4588 0.0000 0.0000 42574.3654 -222242.4591 154.8738 -264816.8245 -222086.7184 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0059 18800.3005 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0325 159.7372 -266302.3188 -222090.4396 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
ENERGY: 199 20113.4046 18634.4038 5710.3429 188.2374 -334151.8588 21182.1777 0.0000 0.0000 45722.9588 -222600.3334 166.3276 -268323.2923 -222093.2755 166.3276 -5152.2284 -2691.5413 921491.4634 -5152.2284 -2691.5413
LDB: ============= START OF LOAD BALANCING ============== 102.24
LDB: Largest compute 200 load 0.425168 is 1.2% of average load 36.621271
LDB: Average compute 0.051295 is 0.1% of average load 36.621271
LDB: TIME 102.242 LOAD: AVG 36.6213 MAX 37.7133 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.52 MB
LDB: TIME 102.244 LOAD: AVG 36.6213 MAX 37.5905 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.52 MB
LDB: ============== END OF LOAD BALANCING =============== 102.246
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.249
Info: Initial time: 4 CPUs 0.471548 s/step 5.45773 days/ns 3223.69 MB memory
TIMING: 200 CPU: 95.5726, 0.471286/step Wall: 95.5726, 0.471286/step, 0.0392738 hours remaining, 3223.691406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6835 18595.6348 5711.8747 190.0258 -334670.2806 21209.9248 0.0000 0.0000 45319.1601 -222569.9770 164.8586 -267889.1370 -222114.5243 164.8586 -5241.8523 -2703.6812 921491.4634 -5241.8523 -2703.6812
ENERGY: 201 23380.1029 18674.3331 5716.2802 191.4189 -334751.7126 21239.1341 0.0000 0.0000 43222.4695 -222327.9740 157.2315 -265550.4435 -222100.1076 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8448 5722.5980 192.1474 -334305.3002 21243.2752 0.0000 0.0000 42432.5588 -222241.0645 154.3580 -264673.6232 -222096.8289 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9370 21215.8254 0.0000 0.0000 44059.6986 -222431.1632 160.2771 -266490.8618 -222093.6425 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6125 19486.9555 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7148 -222526.2118 162.5725 -267216.9266 -222099.8062 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3434 21241.8391 0.0000 0.0000 42439.0583 -222274.9357 154.3816 -264713.9940 -222100.3398 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9791 21289.9001 0.0000 0.0000 42143.6912 -222226.4460 153.3072 -264370.1372 -222103.0933 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6269 -222472.1870 161.6191 -266900.8139 -222122.6319 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8169 20325.0059 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6800 -222642.3820 168.3309 -268916.0620 -222106.7905 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 21385.1733 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4334 -222516.0286 164.6123 -267767.4620 -222108.2021 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1927 19985.8631 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7284 -222254.1133 156.5376 -265285.8417 -222106.8546 156.5376 -5900.2977 -2885.1011 921491.4634 -5900.2977 -2885.1011
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1637 -222249.7029 156.4046 -265244.8666 -222104.2321 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6445 21380.5552 0.0000 0.0000 45418.7805 -222504.4450 165.2210 -267923.2255 -222097.3838 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1888 170.8220 -269639.6590 -222093.7410 170.8220 -143.6687 -2626.0579 921491.4634 -143.6687 -2626.0579
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3324 21379.5596 0.0000 0.0000 45302.6745 -222527.8920 164.7987 -267830.5665 -222091.0450 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5106 -222073.6157 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6749 -222225.0684 152.7251 -264208.7433 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1146 21546.6561 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 105.013, 0.472036/step Wall: 105.013, 0.472036/step, 0.0367139 hours remaining, 3223.691406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.446, 0.471631/step Wall: 114.446, 0.471631/step, 0.0340622 hours remaining, 3223.691406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 244 18822.2465 19849.3936 5737.4544 169.6534 -334482.6011 21720.5676 0.0000 0.0000 45629.1660 -222554.1195 165.9864 -268183.2855 -222078.7772 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2369 19811.7601 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5245 -222360.5918 160.6730 -266529.1163 -222068.6366 160.6730 -1771.6902 -2533.5454 921491.4634 -1771.6902 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4179 -222284.3179 158.6063 -265884.7358 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5285 19979.6440 5712.7400 177.5412 -334802.1839 21719.8454 0.0000 0.0000 44912.1910 -222431.6938 163.3782 -267343.8848 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4922 20164.4295 5713.8450 181.3144 -335623.1351 21746.4310 0.0000 0.0000 46185.9361 -222595.6868 168.0117 -268781.6229 -222090.3130 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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: 255 20324.2311 19109.4100 5707.6062 196.0620 -333099.9232 21746.1515 0.0000 0.0000 43667.4211 -222349.0413 158.8501 -266016.4623 -222078.3978 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1611 -222297.2440 157.0812 -265478.4051 -222071.2742 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5652 18878.1872 5681.1759 194.7976 -333481.0038 21780.2418 0.0000 0.0000 44488.5468 -222428.4893 161.8371 -266917.0361 -222060.1686 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5864 18882.0666 5673.2911 193.6684 -334373.1543 21817.5077 0.0000 0.0000 45796.2578 -222556.7765 166.5942 -268353.0342 -222062.0610 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.869, 0.471161/step Wall: 123.869, 0.471161/step, 0.0314107 hours remaining, 3223.691406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2724 19814.6778 5694.0656 188.7122 -336291.7860 21947.6073 0.0000 0.0000 44601.6344 -222438.8163 162.2485 -267040.4507 -222052.4326 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9714 21924.4739 0.0000 0.0000 45349.7769 -222527.2807 164.9700 -267877.0576 -222051.1550 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4306 5710.6950 187.5052 -334855.9511 21907.7771 0.0000 0.0000 44751.4782 -222476.8391 162.7936 -267228.3173 -222069.1985 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8414 20681.9925 5713.6241 187.4392 -334395.6631 21906.0162 0.0000 0.0000 43607.6372 -222352.1123 158.6326 -265959.7495 -222054.3374 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7897 20788.8700 5712.1327 187.6137 -334399.4574 21914.4803 0.0000 0.0000 43399.3795 -222348.1915 157.8750 -265747.5709 -222054.3637 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0903 20691.2677 5707.0583 187.8501 -334831.4852 21930.8373 0.0000 0.0000 44220.2167 -222446.1648 160.8610 -266666.3815 -222055.6587 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9158 20375.7513 5700.1930 187.9286 -335513.7446 21959.1256 0.0000 0.0000 44823.5376 -222504.2927 163.0557 -267327.8303 -222075.9877 163.0557 -2903.2123 -2658.6181 921491.4634 -2903.2123 -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 19450.9165 5690.3173 187.1618 -336650.6772 22028.8069 0.0000 0.0000 44308.0073 -222365.2741 161.1804 -266673.2814 -222067.0437 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4613 22015.0578 0.0000 0.0000 45607.7075 -222503.3111 165.9083 -268111.0186 -222081.1573 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7010 21985.5294 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6856 -222069.0460 165.5264 -1837.1977 -2434.6760 921491.4634 -1837.1977 -2434.6760
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ENERGY: 276 19401.8500 19594.7507 5701.2547 182.4904 -333292.1278 21971.0408 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2970 19724.7160 5695.5210 182.9396 -333864.3450 21997.2385 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4575 19713.7760 5686.9122 183.6585 -334821.1000 22041.3357 0.0000 0.0000 44532.2540 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3648 19593.9431 5677.5176 184.5187 -335888.5798 22096.4197 0.0000 0.0000 43975.0879 -222376.7280 159.9693 -266351.8159 -222065.2024 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.276, 0.470346/step Wall: 133.276, 0.470346/step, 0.0287434 hours remaining, 3223.691406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7898 19615.5379 5669.9796 186.8360 -336942.5035 22176.7652 0.0000 0.0000 45823.3369 -222526.2580 166.6927 -268349.5949 -222063.3318 166.6927 -2992.3273 -2779.3669 921491.4634 -2992.3273 -2779.3669
ENERGY: 283 20432.1060 19966.6614 5678.8138 187.1634 -336251.9201 22171.0646 0.0000 0.0000 45328.8520 -222487.2589 164.8939 -267816.1109 -222060.8462 164.8939 -2008.7738 -2748.2307 921491.4634 -2008.7738 -2748.2307
ENERGY: 284 20506.3998 20401.8821 5692.0830 187.1346 -335412.6299 22166.2908 0.0000 0.0000 44071.4480 -222387.3916 160.3198 -266458.8396 -222061.5541 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3287 20789.9627 5707.3565 186.7145 -334827.1963 22167.0164 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6308 20966.5620 5721.5032 185.8230 -334658.1145 22176.6861 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1188 20856.7820 5731.9347 184.4714 -334918.1476 22200.2908 0.0000 0.0000 44282.9439 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
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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 ============== 149.373
LDB: Largest compute 200 load 0.525035 is 1.1% of average load 45.729755
LDB: Average compute 0.064061 is 0.1% of average load 45.729755
LDB: TIME 149.375 LOAD: AVG 45.7298 MAX 47.1243 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 149.376 LOAD: AVG 45.7298 MAX 47.1243 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 149.381 LOAD: AVG 45.7298 MAX 46.1142 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 149.381
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.383
Info: Initial time: 4 CPUs 0.47091 s/step 5.45035 days/ns 3224.05 MB memory
TIMING: 300 CPU: 142.673, 0.469859/step Wall: 142.673, 0.469859/step, 0.0261033 hours remaining, 3224.046875 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: 151.856, 0.459132/step Wall: 151.856, 0.459132/step, 0.0229566 hours remaining, 3224.046875 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: 161.027, 0.458578/step Wall: 161.027, 0.458578/step, 0.0203812 hours remaining, 3224.046875 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: 170.198, 0.458512/step Wall: 170.198, 0.458512/step, 0.017831 hours remaining, 3224.046875 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 19323.8975 19612.6013 5699.8913 181.0103 -336175.1995 22790.5190 0.0000 0.0000 46034.3489 -222532.9312 167.4603 -268567.2801 -222068.5917 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
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ENERGY: 368 20561.5938 19748.2120 5739.6691 179.8275 -335728.0877 22808.6651 0.0000 0.0000 44272.8407 -222417.2795 161.0524 -266690.1202 -222068.2914 161.0524 -2928.4886 -2487.3071 921491.4634 -2928.4886 -2487.3071
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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: 370 21302.3705 19815.7284 5738.6028 179.1429 -337296.0558 22846.3049 0.0000 0.0000 44920.4945 -222493.4118 163.4084 -267413.9063 -222062.2627 163.4084 -4081.4435 -2576.8190 921491.4634 -4081.4435 -2576.8190
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ENERGY: 377 20646.4608 20251.1591 5706.5522 182.3248 -335763.5803 22794.3775 0.0000 0.0000 43848.2756 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8100 20495.6592 5711.4639 183.2952 -336584.2280 22821.5838 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4158 -222044.3967 161.7869 -2972.9871 -2523.3497 921491.4634 -2972.9871 -2523.3497
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TIMING: 380 CPU: 179.357, 0.457967/step Wall: 179.357, 0.457967/step, 0.0152656 hours remaining, 3224.046875 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: 380 21458.1130 20605.4119 5719.3306 183.8284 -338176.3455 22892.6531 0.0000 0.0000 44833.7902 -222483.2183 163.0930 -267317.0084 -222063.6481 163.0930 -4580.2700 -2564.2101 921491.4634 -4580.2700 -2564.2101
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ENERGY: 382 22844.1903 20220.4985 5718.3197 182.2157 -338010.6535 22930.5475 0.0000 0.0000 43766.5296 -222348.3521 159.2106 -266114.8817 -222051.0364 159.2106 -3524.7149 -2418.5487 921491.4634 -3524.7149 -2418.5487
ENERGY: 383 21263.6992 19910.9245 5714.6670 180.7420 -337128.0228 22911.2847 0.0000 0.0000 44707.9441 -222438.7612 162.6352 -267146.7053 -222048.1882 162.6352 -2023.0802 -2294.0131 921491.4634 -2023.0802 -2294.0131
ENERGY: 384 19625.4113 19596.0353 5710.5350 179.0647 -336052.0487 22884.2536 0.0000 0.0000 45539.1829 -222517.5659 165.6590 -268056.7488 -222062.0927 165.6590 -569.2379 -2166.9356 921491.4634 -569.2379 -2166.9356
ENERGY: 385 19327.8181 19356.8911 5707.7752 177.4354 -335210.6401 22871.6146 0.0000 0.0000 45299.7167 -222469.3891 164.7879 -267769.1058 -222051.0994 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2273 19220.9463 5707.6638 175.9385 -334865.1818 22880.7960 0.0000 0.0000 44519.8582 -222378.7517 161.9510 -266898.6099 -222051.0439 161.9510 122.6671 -2011.2426 921491.4634 122.6671 -2011.2426
ENERGY: 387 20367.2860 19202.4843 5710.9355 174.6759 -335109.8726 22905.2747 0.0000 0.0000 44377.1812 -222372.0350 161.4320 -266749.2163 -222053.0051 161.4320 -738.9583 -2019.1687 921491.4634 -738.9583 -2019.1687
ENERGY: 388 20282.3986 19280.0167 5717.2935 173.7038 -335824.1517 22938.2903 0.0000 0.0000 44972.7758 -222459.6731 163.5986 -267432.4489 -222067.4817 163.5986 -2063.8550 -2076.2819 921491.4634 -2063.8550 -2076.2819
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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: 390 21929.5051 19598.7449 5733.9032 172.7580 -337596.2513 23021.3366 0.0000 0.0000 44698.9834 -222441.0202 162.6026 -267140.0036 -222061.4795 162.6026 -4540.4920 -2229.7772 921491.4634 -4540.4920 -2229.7772
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ENERGY: 397 19906.7785 20200.7709 5721.4919 176.2273 -336102.8185 22990.0379 0.0000 0.0000 44712.8676 -222394.6443 162.6531 -267107.5120 -222042.6602 162.6531 -376.0862 -2327.2101 921491.4634 -376.0862 -2327.2101
ENERGY: 398 19692.8116 20133.3591 5716.9814 176.0456 -336812.3388 23014.0589 0.0000 0.0000 45592.7323 -222486.3498 165.8538 -268079.0822 -222045.7224 165.8538 -1710.2236 -2443.6964 921491.4634 -1710.2236 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 195.23
LDB: Largest compute 230 load 0.525654 is 1.2% of average load 45.697885
LDB: Average compute 0.063972 is 0.1% of average load 45.697885
LDB: TIME 195.232 LOAD: AVG 45.6979 MAX 45.8474 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 195.232 LOAD: AVG 45.6979 MAX 45.8474 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 195.232 LOAD: AVG 45.6979 MAX 45.8474 PROXIES: TOTAL 115 MAXPE 31 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 195.233
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.234
Info: Benchmark time: 4 CPUs 0.45841 s/step 5.30567 days/ns 3224.05 MB memory
TIMING: 400 CPU: 188.518, 0.458066/step Wall: 188.518, 0.458066/step, 0.012724 hours remaining, 3224.046875 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: 400 21983.9556 19981.4881 5714.2278 174.7230 -338264.6731 23090.3532 0.0000 0.0000 44890.2683 -222429.6571 163.2985 -267319.9254 -222060.6831 163.2985 -4748.6076 -2656.9997 921491.4634 -4748.6076 -2656.9997
ENERGY: 401 23053.7072 19909.1477 5715.0562 174.0724 -338477.1026 23114.9570 0.0000 0.0000 44157.6678 -222352.4943 160.6335 -266510.1621 -222050.1990 160.6335 -5384.8814 -2700.1792 921491.4634 -5384.8814 -2700.1792
ENERGY: 402 22444.0479 19835.9108 5715.8942 173.8391 -338107.6289 23109.6382 0.0000 0.0000 44436.8097 -222391.4890 161.6489 -266828.2987 -222049.2226 161.6489 -4939.3793 -2681.7023 921491.4634 -4939.3793 -2681.7023
ENERGY: 403 20784.9694 19778.4827 5715.7218 174.2695 -337239.9785 23077.8405 0.0000 0.0000 45225.5961 -222483.0984 164.5183 -267708.6945 -222046.6854 164.5183 -3613.5976 -2605.7427 921491.4634 -3613.5976 -2605.7427
ENERGY: 404 19687.5953 19735.4027 5713.8114 175.5084 -336169.1142 23038.2903 0.0000 0.0000 45313.8391 -222504.6669 164.8393 -267818.5060 -222060.2371 164.8393 -1967.0745 -2494.0436 921491.4634 -1967.0745 -2494.0436
ENERGY: 405 19798.8802 19696.7723 5710.0281 177.6162 -335317.9349 23008.3951 0.0000 0.0000 44511.4434 -222414.7998 161.9204 -266926.2431 -222047.5590 161.9204 -627.4746 -2380.7860 921491.4634 -627.4746 -2380.7860
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ENERGY: 408 19735.8470 19387.6641 5692.2152 187.5226 -335902.8218 23017.8176 0.0000 0.0000 45394.4121 -222487.3432 165.1324 -267881.7553 -222063.5312 165.1324 -920.8280 -2294.1554 921491.4634 -920.8280 -2294.1554
ENERGY: 409 20350.1187 19376.4605 5688.4775 191.1593 -336896.6846 23057.9925 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4762 -222051.6705 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5210 19470.1800 5687.6650 194.4179 -337813.1846 23106.2031 0.0000 0.0000 45077.0715 -222427.1260 163.9780 -267504.1975 -222054.6427 163.9780 -3838.6210 -2402.0238 921491.4634 -3838.6210 -2402.0238
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ENERGY: 413 21130.1417 20138.5246 5699.9334 199.7191 -337872.5326 23125.1119 0.0000 0.0000 45113.2146 -222465.8873 164.1095 -267579.1018 -222055.3456 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3857 20381.5504 5705.1135 199.5118 -337122.7807 23094.4561 0.0000 0.0000 45271.6531 -222483.1100 164.6858 -267754.7632 -222052.1627 164.6858 -2501.3242 -2333.9464 921491.4634 -2501.3242 -2333.9464
ENERGY: 415 19745.2667 20572.1258 5708.7452 198.1487 -336456.1983 23071.1994 0.0000 0.0000 44733.2278 -222427.4848 162.7272 -267160.7126 -222049.0349 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3170 20661.9895 5710.0857 195.6953 -336157.5871 23063.1718 0.0000 0.0000 44200.2855 -222384.0422 160.7885 -266584.3277 -222052.9645 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
ENERGY: 417 20031.3749 20631.3209 5709.0494 192.4696 -336373.1085 23072.1101 0.0000 0.0000 44338.4624 -222398.3211 161.2911 -266736.7835 -222044.6994 161.2911 -112.4552 -2227.1698 921491.4634 -112.4552 -2227.1698
ENERGY: 418 20154.6648 20457.0909 5705.5848 188.6536 -336970.7877 23098.6729 0.0000 0.0000 44915.1427 -222450.9780 163.3889 -267366.1207 -222046.7094 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
ENERGY: 419 20790.7631 20185.5524 5700.4811 184.6054 -337717.8766 23139.8026 0.0000 0.0000 45250.3105 -222466.3614 164.6082 -267716.6719 -222049.5951 164.6082 -1783.9420 -2336.6463 921491.4634 -1783.9420 -2336.6463
TIMING: 420 CPU: 197.649, 0.456509/step Wall: 197.649, 0.456509/step, 0.0101446 hours remaining, 3224.046875 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 21418.8985 19324.4273 5689.6737 172.2145 -337416.8959 23180.6043 0.0000 0.0000 45183.9713 -222447.1064 164.3669 -267631.0776 -222051.5233 164.3669 -3955.8306 -2434.9304 921491.4634 -3955.8306 -2434.9304
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ENERGY: 428 20140.4226 19760.4170 5710.4629 168.5259 -336199.9848 23087.7680 0.0000 0.0000 44884.2590 -222448.1294 163.2766 -267332.3884 -222058.0547 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3737 5712.1700 168.1897 -338096.9199 23149.4496 0.0000 0.0000 44626.3093 -222402.4403 162.3382 -267028.7496 -222047.3912 162.3382 -2472.2455 -2268.0463 921491.4634 -2472.2455 -2268.0463
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ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2100 23176.0848 0.0000 0.0000 45177.9904 -222461.6287 164.3451 -267639.6191 -222065.9060 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9071 20275.9663 5710.3764 168.4633 -338164.0636 23162.2913 0.0000 0.0000 45192.9279 -222453.1313 164.3995 -267646.0592 -222052.5984 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3411 20338.1499 5711.6061 169.3247 -337394.2703 23140.7737 0.0000 0.0000 44883.0994 -222420.9753 163.2724 -267304.0747 -222051.1464 163.2724 -2694.3108 -2227.7884 921491.4634 -2694.3108 -2227.7884
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6554 23123.4099 0.0000 0.0000 44675.9836 -222398.7946 162.5189 -267074.7781 -222049.5890 162.5189 -2061.3582 -2179.8950 921491.4634 -2061.3582 -2179.8950
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ENERGY: 437 19434.5515 20329.5094 5720.9894 175.9827 -336411.9782 23136.3869 0.0000 0.0000 45159.2684 -222455.2900 164.2770 -267614.5584 -222050.7502 164.2770 -1319.1167 -2134.4847 921491.4634 -1319.1167 -2134.4847
ENERGY: 438 19935.1530 20278.6098 5724.6884 179.3848 -336899.4575 23173.5520 0.0000 0.0000 45148.1322 -222459.9373 164.2365 -267608.0694 -222051.5667 164.2365 -1493.0939 -2145.0880 921491.4634 -1493.0939 -2145.0880
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TIMING: 440 CPU: 206.786, 0.45689/step Wall: 206.786, 0.45689/step, 0.00761483 hours remaining, 3224.046875 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 22071.5683 20036.2374 5729.7527 186.7201 -338123.1810 23276.2486 0.0000 0.0000 44417.5458 -222405.1081 161.5788 -266822.6539 -222059.4774 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5486 19860.0410 5730.3488 190.1145 -338361.1719 23313.2045 0.0000 0.0000 44502.6963 -222409.2180 161.8886 -266911.9144 -222050.0861 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6118 19664.5350 5729.4855 192.9411 -338090.1537 23327.1568 0.0000 0.0000 44880.6320 -222441.7915 163.2634 -267322.4234 -222049.7757 163.2634 -2710.5576 -2229.0696 921491.4634 -2710.5576 -2229.0696
ENERGY: 443 21064.3316 19487.0722 5727.6165 194.9329 -337369.3154 23320.0158 0.0000 0.0000 45118.1108 -222457.2356 164.1273 -267575.3463 -222048.5997 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3363 19357.2689 5725.4095 195.8735 -336464.1922 23301.5276 0.0000 0.0000 44987.7178 -222447.0586 163.6530 -267434.7764 -222057.9796 163.6530 -2090.2098 -2206.4397 921491.4634 -2090.2098 -2206.4397
ENERGY: 445 20125.5608 19307.2516 5723.6513 195.6942 -335759.3913 23283.8139 0.0000 0.0000 44708.7155 -222414.7039 162.6380 -267123.4194 -222046.5426 162.6380 -1846.9625 -2201.6924 921491.4634 -1846.9625 -2201.6924
ENERGY: 446 19947.6805 19324.9004 5722.5430 194.3235 -335494.5707 23276.0451 0.0000 0.0000 44620.2945 -222408.7837 162.3164 -267029.0782 -222046.1618 162.3164 -1800.7516 -2216.7291 921491.4634 -1800.7516 -2216.7291
ENERGY: 447 19914.2848 19416.0208 5722.2107 191.8641 -335769.4399 23282.7459 0.0000 0.0000 44816.5088 -222425.8048 163.0301 -267242.3136 -222046.8341 163.0301 -1993.3110 -2253.0601 921491.4634 -1993.3110 -2253.0601
ENERGY: 448 20187.5920 19583.6798 5722.5765 188.5554 -336503.1801 23303.8905 0.0000 0.0000 45065.6675 -222451.2185 163.9365 -267516.8860 -222059.3480 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4058 19832.6984 5723.5713 184.8596 -337500.9073 23334.5924 0.0000 0.0000 45101.1679 -222446.6119 164.0657 -267547.7798 -222047.7099 164.0657 -2827.1080 -2356.1406 921491.4634 -2827.1080 -2356.1406
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1298 5724.4776 181.0898 -338419.3252 23364.6244 0.0000 0.0000 44854.3098 -222432.2086 163.1677 -267286.5183 -222048.7860 163.1677 -3116.6755 -2394.3895 921491.4634 -3116.6755 -2394.3895
ENERGY: 451 22355.5903 20357.7253 5724.7144 177.6517 -338952.0913 23381.8009 0.0000 0.0000 44542.6988 -222411.9099 162.0341 -266954.6088 -222048.8245 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2015 20536.0132 5723.8953 174.8859 -338927.1544 23378.0946 0.0000 0.0000 44452.9199 -222415.1440 161.7075 -266868.0638 -222059.6370 161.7075 -2659.9604 -2384.7567 921491.4634 -2659.9604 -2384.7567
ENERGY: 453 21399.8726 20641.1309 5722.2879 173.1350 -338392.7942 23354.5910 0.0000 0.0000 44683.7037 -222418.0731 162.5470 -267101.7768 -222043.5372 162.5470 -2048.3338 -2342.4667 921491.4634 -2048.3338 -2342.4667
ENERGY: 454 20248.3381 20654.1372 5720.2218 172.3637 -337567.1424 23320.6905 0.0000 0.0000 45008.1470 -222443.2442 163.7273 -267451.3912 -222041.8392 163.7273 -1453.4579 -2293.1449 921491.4634 -1453.4579 -2293.1449
ENERGY: 455 19486.7908 20584.7119 5718.4844 172.5169 -336790.6463 23290.4027 0.0000 0.0000 45086.5792 -222451.1604 164.0126 -267537.7396 -222040.8571 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3723 20440.6799 5717.7556 173.4248 -336350.1086 23274.9635 0.0000 0.0000 44811.4729 -222438.4395 163.0118 -267249.9125 -222055.3486 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8176 23277.8279 0.0000 0.0000 44521.8710 -222403.2002 161.9583 -266925.0713 -222049.4133 161.9583 -1906.4165 -2263.5012 921491.4634 -1906.4165 -2263.5012
ENERGY: 458 20585.8434 20019.2723 5720.7061 176.6081 -336835.0971 23294.7178 0.0000 0.0000 44632.7895 -222405.1599 162.3618 -267037.9495 -222051.2822 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 215.922, 0.456788/step Wall: 215.922, 0.456788/step, 0.00507542 hours remaining, 3224.046875 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 19597.9064 5728.0972 179.4910 -338014.3779 23341.8007 0.0000 0.0000 45423.8571 -222480.6116 165.2395 -267904.4686 -222064.6835 165.2395 -3669.8200 -2365.2411 921491.4634 -3669.8200 -2365.2411
ENERGY: 461 21862.8765 19507.1076 5732.5753 180.4333 -338251.6228 23355.3941 0.0000 0.0000 45154.6142 -222458.6219 164.2601 -267613.2361 -222058.0506 164.2601 -3556.1665 -2361.1798 921491.4634 -3556.1665 -2361.1798
ENERGY: 462 22264.2257 19487.8109 5736.4823 180.9531 -337988.7182 23351.1093 0.0000 0.0000 44559.9296 -222408.2074 162.0968 -266968.1370 -222056.7213 162.0968 -2954.8199 -2323.4250 921491.4634 -2954.8199 -2323.4250
ENERGY: 463 21821.1791 19513.9015 5738.9361 181.1160 -337284.1039 23326.9484 0.0000 0.0000 44313.4576 -222388.5652 161.2002 -266702.0228 -222054.6241 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2460 19559.9271 5739.2518 181.0096 -336389.3849 23291.1949 0.0000 0.0000 44654.0271 -222428.7284 162.4391 -267082.7555 -222058.5728 162.4391 -1050.9226 -2205.5266 921491.4634 -1050.9226 -2205.5266
ENERGY: 465 19322.7827 19631.8852 5737.2899 180.7155 -335701.1541 23259.7398 0.0000 0.0000 45094.5691 -222474.1719 164.0416 -267568.7409 -222052.9387 164.0416 -512.3345 -2174.4006 921491.4634 -512.3345 -2174.4006
ENERGY: 466 19088.4511 19708.3579 5733.2107 180.2808 -335443.7732 23245.0611 0.0000 0.0000 45020.7910 -222467.6205 163.7733 -267488.4116 -222052.9784 163.7733 -630.3312 -2182.6708 921491.4634 -630.3312 -2182.6708
ENERGY: 467 19841.8069 19783.1740 5727.6704 179.7757 -335721.0957 23249.4537 0.0000 0.0000 44523.6668 -222415.5482 161.9649 -266939.2150 -222054.3494 161.9649 -1393.6027 -2232.5922 921491.4634 -1393.6027 -2232.5922
ENERGY: 468 20761.8480 19845.4940 5721.5090 179.2779 -336451.5676 23265.8133 0.0000 0.0000 44291.6589 -222385.9666 161.1209 -266677.6254 -222056.3593 161.1209 -2508.6713 -2314.1340 921491.4634 -2508.6713 -2314.1340
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3212 23284.3970 0.0000 0.0000 44720.3205 -222412.5675 162.6802 -267132.8880 -222046.0752 162.6802 -3596.7405 -2405.7972 921491.4634 -3596.7405 -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 21411.1732 19972.8933 5710.9491 178.5947 -338383.2519 23297.0681 0.0000 0.0000 45346.4575 -222466.1159 164.9579 -267812.5734 -222047.6091 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8679 20054.6835 5707.9626 178.5890 -338913.2464 23297.5094 0.0000 0.0000 45471.3366 -222470.2973 165.4122 -267941.6339 -222047.5362 165.4122 -4290.5683 -2504.3175 921491.4634 -4290.5683 -2504.3175
ENERGY: 472 22081.2362 20161.5552 5707.0091 178.9047 -338870.6777 23279.4501 0.0000 0.0000 45028.5296 -222433.9929 163.8014 -267462.5226 -222059.5058 163.8014 -3659.7360 -2479.9182 921491.4634 -3659.7360 -2479.9182
ENERGY: 473 21866.1362 20289.3426 5707.9843 179.6165 -338307.7201 23240.7373 0.0000 0.0000 44634.5173 -222389.3859 162.3681 -267023.9032 -222043.8540 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9704 20372.0986 5710.2161 180.7466 -337438.4562 23189.2358 0.0000 0.0000 44733.2305 -222409.9582 162.7272 -267143.1887 -222041.2620 162.7272 -1295.5523 -2316.2726 921491.4634 -1295.5523 -2316.2726
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2322 23142.3828 0.0000 0.0000 45070.2136 -222450.4216 163.9531 -267520.6353 -222039.4530 163.9531 -344.6447 -2232.2123 921491.4634 -344.6447 -2232.2123
ENERGY: 476 19235.7861 20282.0274 5715.7683 184.0125 -336100.0911 23115.8477 0.0000 0.0000 45106.0631 -222460.5860 164.0835 -267566.6491 -222053.6137 164.0835 -92.4045 -2183.0649 921491.4634 -92.4045 -2183.0649
ENERGY: 477 19704.7247 20145.9812 5718.4976 185.9230 -336101.8798 23114.2949 0.0000 0.0000 44812.3208 -222420.1373 163.0149 -267232.4582 -222044.8410 163.0149 -667.4941 -2171.8225 921491.4634 -667.4941 -2171.8225
ENERGY: 478 20493.4773 19974.7637 5721.0254 187.7262 -336537.4045 23131.2470 0.0000 0.0000 44627.0334 -222402.1314 162.3409 -267029.1648 -222047.4106 162.3409 -1807.1600 -2198.7953 921491.4634 -1807.1600 -2198.7953
ENERGY: 479 21125.3056 19793.3955 5723.3295 189.2099 -337215.5847 23156.6782 0.0000 0.0000 44802.1579 -222425.5082 162.9779 -267227.6660 -222050.5459 162.9779 -3089.8512 -2246.7914 921491.4634 -3089.8512 -2246.7914
TIMING: 480 CPU: 225.06, 0.456921/step Wall: 225.06, 0.456921/step, 0.00253845 hours remaining, 3224.046875 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 21624.0327 19623.1964 5725.3111 190.1901 -337854.6796 23181.5128 0.0000 0.0000 45051.6814 -222458.7552 163.8856 -267510.4366 -222064.6211 163.8856 -4077.7324 -2291.4889 921491.4634 -4077.7324 -2291.4889
ENERGY: 481 22092.4855 19510.0432 5727.0953 190.6351 -338199.2492 23196.7969 0.0000 0.0000 45041.3368 -222440.8564 163.8480 -267482.1932 -222052.5267 163.8480 -4466.2392 -2305.6730 921491.4634 -4466.2392 -2305.6730
ENERGY: 482 22186.3468 19466.6793 5728.4964 190.3598 -338044.5429 23192.7484 0.0000 0.0000 44865.8521 -222414.0602 163.2096 -267279.9123 -222051.4114 163.2096 -4059.3096 -2278.0613 921491.4634 -4059.3096 -2278.0613
ENERGY: 483 21553.1413 19511.5743 5729.5660 189.3227 -337426.2195 23165.8750 0.0000 0.0000 44861.8971 -222414.8431 163.1953 -267276.7402 -222048.7674 163.1953 -2964.1720 -2216.4114 921491.4634 -2964.1720 -2216.4114
ENERGY: 484 20460.8927 19631.1937 5730.2465 187.5455 -336590.8897 23126.1361 0.0000 0.0000 45003.6031 -222451.2722 163.7107 -267454.8753 -222059.8747 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7723 19800.2989 5730.5256 185.2458 -335902.5878 23092.8480 0.0000 0.0000 44955.5722 -222449.3250 163.5360 -267404.8973 -222045.9611 163.5360 -422.1571 -2086.8737 921491.4634 -422.1571 -2086.8737
ENERGY: 486 19602.5429 19954.8173 5729.7198 182.4662 -335612.3578 23080.3816 0.0000 0.0000 44645.9113 -222416.5186 162.4096 -267062.4299 -222044.6765 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0925 20072.0209 5727.4348 179.4360 -335846.4489 23091.0553 0.0000 0.0000 44503.3491 -222392.0604 161.8910 -266895.4095 -222045.2412 161.8910 -192.2347 -2106.8842 921491.4634 -192.2347 -2106.8842
ENERGY: 488 20125.2096 20156.1358 5723.5441 176.4338 -336552.5453 23118.8625 0.0000 0.0000 44827.0554 -222425.3041 163.0685 -267252.3595 -222057.1938 163.0685 -1145.7531 -2194.6678 921491.4634 -1145.7531 -2194.6678
ENERGY: 489 20526.8870 20236.4605 5718.5749 173.8639 -337540.4654 23156.7318 0.0000 0.0000 45266.1000 -222461.8473 164.6656 -267727.9473 -222045.6085 164.6656 -2511.2403 -2316.7065 921491.4634 -2511.2403 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9018 5712.8912 171.8438 -338458.1359 23196.4885 0.0000 0.0000 45213.5623 -222459.6993 164.4745 -267673.2617 -222048.2208 164.4745 -3823.4037 -2437.4153 921491.4634 -3823.4037 -2437.4153
ENERGY: 491 22430.4639 20312.1358 5707.3795 170.5404 -338984.5792 23226.0945 0.0000 0.0000 44733.0084 -222404.9568 162.7264 -267137.9652 -222049.4638 162.7264 -4629.6933 -2524.6213 921491.4634 -4629.6933 -2524.6213
ENERGY: 492 22612.9544 20289.6809 5702.9944 170.0208 -338937.5816 23232.7213 0.0000 0.0000 44542.1947 -222387.0151 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8522 -2557.4727 921491.4634 -4606.8522 -2557.4727
ENERGY: 493 21558.2186 20260.7373 5700.7779 170.3200 -338358.0635 23214.0544 0.0000 0.0000 45033.8226 -222420.1327 163.8207 -267453.9553 -222046.5901 163.8207 -3796.3817 -2540.0994 921491.4634 -3796.3817 -2540.0994
ENERGY: 494 20068.3366 20225.0262 5700.9806 171.2193 -337454.3839 23183.0802 0.0000 0.0000 45622.2471 -222483.4940 165.9612 -268105.7411 -222044.0868 165.9612 -2500.8990 -2482.1066 921491.4634 -2500.8990 -2482.1066
ENERGY: 495 19383.2465 20186.8303 5703.5926 172.5416 -336566.9892 23159.4632 0.0000 0.0000 45484.1225 -222477.1926 165.4587 -267961.3151 -222041.5564 165.4587 -1249.6835 -2407.3054 921491.4634 -1249.6835 -2407.3054
ENERGY: 496 19722.4835 20130.6476 5708.0350 174.0933 -335998.7159 23154.2642 0.0000 0.0000 44699.5265 -222409.6658 162.6046 -267109.1923 -222049.0668 162.6046 -478.8994 -2343.4748 921491.4634 -478.8994 -2343.4748
ENERGY: 497 20212.6667 20059.9180 5713.4613 175.7242 -335952.5046 23166.3551 0.0000 0.0000 44261.0286 -222363.3508 161.0095 -266624.3794 -222042.7498 161.0095 -421.0229 -2316.7926 921491.4634 -421.0229 -2316.7926
ENERGY: 498 20182.0163 19957.1220 5718.5596 177.2604 -336366.4937 23189.3590 0.0000 0.0000 44728.2533 -222413.9231 162.7091 -267142.1764 -222044.5217 162.7091 -993.4676 -2331.6470 921491.4634 -993.4676 -2331.6470
ENERGY: 499 20158.0677 19847.7312 5722.4089 178.6361 -337058.4827 23219.2408 0.0000 0.0000 45439.2643 -222493.1337 165.2956 -267932.3980 -222047.2060 165.2956 -2020.8685 -2376.3389 921491.4634 -2020.8685 -2376.3389
Info: Benchmark time: 4 CPUs 0.456074 s/step 5.27863 days/ns 3224.05 MB memory
TIMING: 500 CPU: 234.126, 0.453271/step Wall: 234.126, 0.453271/step, 0 hours remaining, 3224.046875 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 19756.6586 5724.4523 179.8271 -337741.4195 23251.1012 0.0000 0.0000 45359.0777 -222495.4089 165.0039 -267854.4866 -222061.0907 165.0039 -3197.5167 -2425.4140 921491.4634 -3197.5167 -2425.4140
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, 3229.340 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.340 MB of memory in use
====================================================
WallClock: 241.724655 CPUTime: 241.724655 Memory: 3229.339844 MB
[Partition 0][Node 0] End of program
Application 110213230 resources: utime ~948s, stime ~20s, Rss ~127008, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.724655
CPU=241.724655
MEM=3229.339844
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins10163115485054750964.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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