Skipping 677 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 57.0002
LDB: Largest compute 200 load 0.432046 is 1.2% of average load 36.809039
LDB: Average compute 0.051565 is 0.1% of average load 36.809039
LDB: Partitioning computes with target load 3.680904
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055435
LDB: ============== END OF LOAD BALANCING =============== 57.0023
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 57.0032
Info: Initial time: 4 CPUs 0.473717 s/step 5.48283 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.3439, 0.472708/step Wall: 48.3439, 0.472708/step, 0.0525231 hours remaining, 3221.531250 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 ============== 66.4403
LDB: ============== END OF LOAD BALANCING =============== 66.4404
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 66.4409
TIMING: 120 CPU: 57.7816, 0.471885/step Wall: 57.7816, 0.471885/step, 0.04981 hours remaining, 3221.707031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6086 18898.7761 5736.4508 185.0194 -334776.0134 21118.0422 0.0000 0.0000 44811.1498 -222472.9665 163.0106 -267284.1162 -222216.5362 163.0106 -5536.0554 -2842.3154 921491.4634 -5536.0554 -2842.3154
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4340 21083.5324 0.0000 0.0000 42784.9639 -222340.8736 155.6399 -265125.8375 -222213.1813 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2125, 0.471545/step Wall: 67.2125, 0.471545/step, 0.0471545 hours remaining, 3221.894531 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5976 17997.1577 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 150 21015.8992 19956.3835 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5898 -222515.5245 162.2665 -267122.1143 -222153.2666 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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ENERGY: 157 20043.0837 19943.2665 5753.0947 171.8900 -332363.0657 20715.7865 0.0000 0.0000 43325.6933 -222410.2510 157.6070 -265735.9443 -222155.5008 157.6070 -38.8544 -2554.7665 921491.4634 -38.8544 -2554.7665
ENERGY: 158 21695.0846 19425.3238 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6820 -222319.2314 155.3806 -265032.9134 -222157.3220 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.6316, 0.470955/step Wall: 76.6316, 0.470955/step, 0.0444791 hours remaining, 3222.035156 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 174.4915 -333735.9152 20833.5471 0.0000 0.0000 44515.8596 -222542.3532 161.9365 -267058.2128 -222175.6785 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
ENERGY: 161 21561.6001 18685.5959 5704.9781 178.2042 -333710.7594 20865.7132 0.0000 0.0000 44220.7113 -222493.9566 160.8628 -266714.6678 -222160.9738 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6494 20887.8856 0.0000 0.0000 43070.6067 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8656 5696.1509 188.4544 -332368.8222 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
ENERGY: 164 19652.8065 18261.0400 5702.5306 194.0206 -331567.4469 20861.9109 0.0000 0.0000 44426.5345 -222468.6038 161.6115 -266895.1383 -222170.9033 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
ENERGY: 165 18074.0952 18343.8150 5716.1638 199.2019 -331183.0466 20849.6743 0.0000 0.0000 45425.8565 -222574.2400 165.2468 -268000.0965 -222153.1698 165.2468 -2737.5186 -2867.1447 921491.4634 -2737.5186 -2867.1447
ENERGY: 166 18979.7070 18650.1654 5734.9735 203.3281 -331407.1003 20870.8939 0.0000 0.0000 44483.6889 -222484.3435 161.8194 -266968.0324 -222151.2327 161.8194 -1964.3637 -2870.3839 921491.4634 -1964.3637 -2870.3839
ENERGY: 167 21026.8307 19216.2868 5755.9248 205.8794 -332212.1862 20917.6388 0.0000 0.0000 42775.8063 -222313.8195 155.6066 -265089.6258 -222150.5298 155.6066 -1671.2500 -2889.5868 921491.4634 -1671.2500 -2889.5868
ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3352 -222325.8216 154.5754 -264818.1568 -222149.7707 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4664 20870.4070 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1911 -222488.0251 158.6055 -266088.2162 -222133.5315 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -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 20485.0013 21574.3801 5797.0542 201.1981 -335480.2502 21017.8094 0.0000 0.0000 43834.2690 -222570.5381 159.4570 -266404.8071 -222135.2420 159.4570 -2696.1966 -3030.4960 921491.4634 -2696.1966 -3030.4960
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ENERGY: 176 19195.1040 18891.7629 5743.5896 160.0071 -332124.2126 20943.2095 0.0000 0.0000 44722.5120 -222468.0275 162.6882 -267190.5395 -222127.3367 162.6882 -2658.3221 -2727.5043 921491.4634 -2658.3221 -2727.5043
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2625 -222252.6192 155.3827 -264966.8817 -222125.5133 155.3827 -2870.6846 -2681.8088 921491.4634 -2870.6846 -2681.8088
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2973 21015.2132 0.0000 0.0000 43101.1545 -222314.9821 156.7902 -265416.1366 -222126.1318 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.0408, 0.470458/step Wall: 86.0408, 0.470458/step, 0.0418185 hours remaining, 3222.195312 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: 182 23922.3455 19800.0772 5732.0748 164.8150 -333691.2980 21109.5294 0.0000 0.0000 40770.0179 -222192.4382 148.3101 -262962.4561 -222132.7633 148.3101 -2461.5985 -2635.7203 921491.4634 -2461.5985 -2635.7203
ENERGY: 183 22149.3485 19677.1533 5722.7616 169.5349 -332921.8734 21084.4911 0.0000 0.0000 41834.8235 -222283.7605 152.1836 -264118.5840 -222131.2588 152.1836 -1990.8045 -2626.5157 921491.4634 -1990.8045 -2626.5157
ENERGY: 184 18376.8755 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8617 -222144.6141 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
ENERGY: 185 16957.7745 19234.6873 5697.7241 178.4155 -331895.6961 21023.9443 0.0000 0.0000 46149.4988 -222653.6517 167.8792 -268803.1505 -222128.1655 167.8792 -1752.9884 -2679.2077 921491.4634 -1752.9884 -2679.2077
ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0856 -222130.9078 154.4178 -3641.8537 -2802.0866 921491.4634 -3641.8537 -2802.0866
ENERGY: 188 22101.1830 19886.6774 5676.0120 186.3502 -334382.7613 21093.9044 0.0000 0.0000 43113.1616 -222325.4726 156.8338 -265438.6342 -222135.3908 156.8338 -4316.2655 -2887.0591 921491.4634 -4316.2655 -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 -332319.6950 21082.8578 0.0000 0.0000 43603.6154 -222381.4362 158.6180 -265985.0516 -222096.3128 158.6180 -1480.5941 -2574.8092 921491.4634 -1480.5941 -2574.8092
ENERGY: 197 21700.3671 19122.7579 5714.1451 184.7200 -332668.2730 21129.4587 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4996 21161.1533 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3184 -222090.4393 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
ENERGY: 199 20113.4048 18634.4039 5710.3429 188.2374 -334151.8584 21182.1776 0.0000 0.0000 45722.9587 -222600.3331 166.3276 -268323.2919 -222093.2752 166.3276 -5152.2285 -2691.5412 921491.4634 -5152.2285 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 104.11
LDB: Largest compute 200 load 0.426728 is 1.2% of average load 36.626313
LDB: Average compute 0.051303 is 0.1% of average load 36.626313
LDB: TIME 104.112 LOAD: AVG 36.6263 MAX 37.6691 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.48 MB
LDB: TIME 104.114 LOAD: AVG 36.6263 MAX 37.4972 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.48 MB
LDB: ============== END OF LOAD BALANCING =============== 104.116
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 104.119
Info: Initial time: 4 CPUs 0.471025 s/step 5.45168 days/ns 3223.69 MB memory
TIMING: 200 CPU: 95.4565, 0.470788/step Wall: 95.4565, 0.470788/step, 0.0392323 hours remaining, 3223.687500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2807 21209.9247 0.0000 0.0000 45319.1600 -222569.9771 164.8586 -267889.1371 -222114.5244 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1028 18674.3333 5716.2802 191.4188 -334751.7127 21239.1340 0.0000 0.0000 43222.4695 -222327.9741 157.2315 -265550.4436 -222100.1078 157.2315 -4546.2004 -2661.1901 921491.4634 -4546.2004 -2661.1901
ENERGY: 202 23622.8115 18850.8450 5722.5980 192.1474 -334305.3003 21243.2751 0.0000 0.0000 42432.5588 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8944 19130.0390 5729.2399 192.0764 -333501.9370 21215.8253 0.0000 0.0000 44059.6987 -222431.1633 160.2771 -266490.8620 -222093.6426 160.2771 -1046.8258 -2512.4436 921491.4634 -1046.8258 -2512.4436
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4720 -222628.9809 165.9875 -268258.4529 -222116.7001 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0792 19868.9414 5735.7153 189.6741 -332398.2551 21197.9185 0.0000 0.0000 44690.7150 -222526.2116 162.5725 -267216.9266 -222099.8060 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3435 21241.8390 0.0000 0.0000 42439.0585 -222274.9356 154.3816 -264713.9941 -222100.3397 154.3816 -230.6570 -2488.2938 921491.4634 -230.6570 -2488.2938
ENERGY: 207 21693.8033 20338.2891 5726.5434 185.3060 -333603.9792 21289.9000 0.0000 0.0000 42143.6915 -222226.4459 153.3072 -264370.1374 -222103.0932 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2378 21322.2409 0.0000 0.0000 44428.6271 -222472.1865 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0644 -2719.7953 921491.4634 -3669.0644 -2719.7953
ENERGY: 209 19428.8170 20325.0060 5710.3389 180.5135 -335910.2413 21349.5043 0.0000 0.0000 46273.6802 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7275 -2836.6307 921491.4634 -5197.7275 -2836.6307
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2570 5705.3139 178.4614 -336615.7766 21385.1094 0.0000 0.0000 45251.4335 -222516.0281 164.6123 -267767.4616 -222108.2015 164.6123 -6091.3663 -2896.2628 921491.4634 -6091.3663 -2896.2628
ENERGY: 211 24099.1926 19985.8633 5704.9373 176.9105 -336667.8925 21415.1475 0.0000 0.0000 43031.7286 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2977 -2885.1011 921491.4634 -5900.2977 -2885.1011
ENERGY: 212 23739.2708 19730.8223 5710.0295 176.0352 -336013.6224 21412.5981 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6441 21380.5550 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7447 5733.3059 176.6827 -333645.3934 21358.4484 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9742 5746.5772 178.1492 -332787.3320 21379.5594 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0447 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4718 19522.5060 5756.9571 180.1770 -332560.1059 21436.4834 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6756 21497.2704 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0890 5761.2415 184.9927 -333856.1145 21546.6559 0.0000 0.0000 44178.6835 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.877, 0.471042/step Wall: 104.877, 0.471042/step, 0.0366366 hours remaining, 3223.687500 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 19419.4414 19404.0884 5740.6977 175.0128 -333964.3150 21778.9042 0.0000 0.0000 44901.2436 -222544.9269 163.3384 -267446.1706 -222065.9777 163.3384 -987.6015 -2425.5310 921491.4634 -987.6015 -2425.5310
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TIMING: 240 CPU: 114.286, 0.47041/step Wall: 114.286, 0.47041/step, 0.033974 hours remaining, 3223.687500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7714 20111.8208 5758.5348 169.0441 -335904.8191 21831.0565 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1687 -2633.0913 921491.4634 -4623.1687 -2633.0913
ENERGY: 243 19462.3619 19969.6445 5749.3614 168.8705 -335233.7063 21770.4746 0.0000 0.0000 45537.0690 -222575.9244 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6007 21720.5674 0.0000 0.0000 45629.1663 -222554.1194 165.9864 -268183.2857 -222078.7770 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7599 5725.7785 171.4559 -334087.5945 21701.2468 0.0000 0.0000 44168.5249 -222360.5917 160.6730 -266529.1166 -222068.6365 160.6730 -1771.6902 -2533.5455 921491.4634 -1771.6902 -2533.5455
ENERGY: 246 20878.5482 19853.7025 5716.8932 174.1558 -334213.1206 21705.0848 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -222067.4295 158.6063 -1173.7931 -2523.3912 921491.4634 -1173.7931 -2523.3912
ENERGY: 247 19868.5288 19979.6441 5712.7400 177.5412 -334802.1843 21719.8452 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -983.0002 -2552.5931 921491.4634 -983.0002 -2552.5931
ENERGY: 248 19035.4926 20164.4298 5713.8450 181.3144 -335623.1355 21746.4309 0.0000 0.0000 46185.9362 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1249 -2608.3067 921491.4634 -1359.1249 -2608.3067
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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 21994.9039 20013.1598 5733.2541 193.8023 -336093.2671 21826.9293 0.0000 0.0000 43905.3721 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4679 -2758.0338 921491.4634 -3843.4679 -2758.0338
ENERGY: 253 19499.8636 19667.1120 5729.5496 195.2411 -334977.1801 21784.0534 0.0000 0.0000 45520.0193 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1271 -2735.8132 921491.4634 -3300.1271 -2735.8132
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ENERGY: 255 20324.2312 19109.4100 5707.6062 196.0620 -333099.9229 21746.1513 0.0000 0.0000 43667.4212 -222349.0410 158.8501 -266016.4622 -222078.3975 158.8501 -2282.5426 -2662.7814 921491.4634 -2282.5426 -2662.7814
ENERGY: 256 20899.4411 18950.9577 5693.4518 195.6570 -332975.5969 21757.6845 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2410 -2664.5198 921491.4634 -2042.2410 -2664.5198
ENERGY: 257 20029.5655 18878.1872 5681.1759 194.7976 -333481.0036 21780.2417 0.0000 0.0000 44488.5468 -222428.4889 161.8371 -266917.0357 -222060.1682 161.8371 -2035.5364 -2692.1441 921491.4634 -2035.5364 -2692.1441
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1542 21817.5075 0.0000 0.0000 45796.2577 -222556.7761 166.5942 -268353.0338 -222062.0606 166.5942 -2331.2329 -2737.1919 921491.4634 -2331.2329 -2737.1919
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TIMING: 260 CPU: 123.686, 0.470011/step Wall: 123.686, 0.470011/step, 0.0313341 hours remaining, 3223.992188 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 21606.2722 19814.6778 5694.0656 188.7122 -336291.7855 21947.6072 0.0000 0.0000 44601.6346 -222438.8160 162.2485 -267040.4506 -222052.4323 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1227 20140.5623 5703.8103 187.9445 -335614.9710 21924.4738 0.0000 0.0000 45349.7770 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2259 20436.4307 5710.6950 187.5052 -334855.9508 21907.7770 0.0000 0.0000 44751.4783 -222476.8387 162.7936 -267228.3170 -222069.1982 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9928 5713.6241 187.4392 -334395.6630 21906.0161 0.0000 0.0000 43607.6374 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0574 -2683.6035 921491.4634 -2038.0574 -2683.6035
ENERGY: 266 20048.7899 20788.8703 5712.1327 187.6137 -334399.4576 21914.4802 0.0000 0.0000 43399.3796 -222348.1911 157.8750 -265747.5706 -222054.3633 157.8750 -2130.7243 -2664.5957 921491.4634 -2130.7243 -2664.5957
ENERGY: 267 19648.0907 20691.2680 5707.0583 187.8501 -334831.4854 21930.8372 0.0000 0.0000 44220.2167 -222446.1644 160.8610 -266666.3811 -222055.6583 160.8610 -2435.4237 -2662.6784 921491.4634 -2435.4237 -2662.6784
ENERGY: 268 19962.9162 20375.7517 5700.1930 187.9286 -335513.7448 21959.1255 0.0000 0.0000 44823.5376 -222504.2923 163.0557 -267327.8299 -222075.9874 163.0557 -2903.2127 -2658.6182 921491.4634 -2903.2127 -2658.6182
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1932 19450.9166 5690.3173 187.1618 -336650.6771 22028.8068 0.0000 0.0000 44308.0077 -222365.2737 161.1804 -266673.2813 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5822 19078.8064 5690.0209 186.1610 -336571.7887 22035.2498 0.0000 0.0000 44829.4474 -222406.5211 163.0772 -267235.9685 -222066.8385 163.0772 -3261.2173 -2569.2623 921491.4634 -3261.2173 -2569.2623
ENERGY: 272 21021.5583 18896.0659 5692.8269 184.9335 -335921.4609 22015.0577 0.0000 0.0000 45607.7078 -222503.3108 165.9083 -268111.0186 -222081.1570 165.9083 -2551.9682 -2501.8805 921491.4634 -2551.9682 -2501.8805
ENERGY: 273 20123.2135 18932.9079 5697.5118 183.8526 -334925.7006 21985.5293 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6856 -222069.0457 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7507 5701.2547 182.4904 -333292.1278 21971.0407 0.0000 0.0000 44028.5273 -222412.2139 160.1637 -266440.7411 -222072.9393 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3451 21997.2384 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6329 -222061.0986 162.3619 -2311.7547 -2498.0545 921491.4634 -2311.7547 -2498.0545
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1002 22041.3356 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4129 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5799 22096.4196 0.0000 0.0000 43975.0882 -222376.7278 159.9693 -266351.8160 -222065.2022 159.9693 -4044.3213 -2682.8390 921491.4634 -4044.3213 -2682.8390
TIMING: 280 CPU: 133.08, 0.469692/step Wall: 133.08, 0.469692/step, 0.0287034 hours remaining, 3223.992188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5380 5669.9796 186.8360 -336942.5033 22176.7651 0.0000 0.0000 45823.3372 -222526.2577 166.6927 -268349.5949 -222063.3315 166.6927 -2992.3271 -2779.3669 921491.4634 -2992.3271 -2779.3669
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ENERGY: 286 19396.6310 20966.5624 5721.5031 185.8229 -334658.1149 22176.6860 0.0000 0.0000 43785.6883 -222425.2211 159.2803 -266210.9094 -222054.0581 159.2803 -1306.7504 -2717.2848 921491.4634 -1306.7504 -2717.2848
ENERGY: 287 19176.1192 20856.7824 5731.9346 184.4714 -334918.1480 22200.2907 0.0000 0.0000 44282.9440 -222485.6058 161.0892 -266768.5497 -222055.7252 161.0892 -2148.9615 -2753.3345 921491.4634 -2148.9615 -2753.3345
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3150 22237.9034 0.0000 0.0000 44116.9907 -222455.2376 160.4855 -266572.2283 -222066.9054 160.4855 -3310.5881 -2790.1554 921491.4634 -3310.5881 -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 ============== 151.15
LDB: Largest compute 200 load 0.518145 is 1.1% of average load 45.684206
LDB: Average compute 0.063982 is 0.1% of average load 45.684206
LDB: TIME 151.152 LOAD: AVG 45.6842 MAX 47.0306 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 151.153 LOAD: AVG 45.6842 MAX 47.0306 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 151.168 LOAD: AVG 45.6842 MAX 46.2045 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 151.169
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 151.17
Info: Initial time: 4 CPUs 0.469986 s/step 5.43965 days/ns 3224.19 MB memory
TIMING: 300 CPU: 142.476, 0.469793/step Wall: 142.475, 0.469793/step, 0.0260996 hours remaining, 3224.191406 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: 151.701, 0.461272/step Wall: 151.701, 0.461272/step, 0.0230636 hours remaining, 3224.191406 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: 160.92, 0.460931/step Wall: 160.92, 0.460931/step, 0.0204858 hours remaining, 3224.191406 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: 170.129, 0.460493/step Wall: 170.129, 0.460493/step, 0.017908 hours remaining, 3224.191406 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: 363 21303.6020 19794.1188 5692.1162 181.3427 -337235.0087 22818.0647 0.0000 0.0000 45033.6629 -222412.1015 163.8201 -267445.7644 -222049.5300 163.8201 -2242.6819 -2529.7065 921491.4634 -2242.6819 -2529.7065
ENERGY: 364 19323.8975 19612.6014 5699.8913 181.0103 -336175.1995 22790.5188 0.0000 0.0000 46034.3491 -222532.9310 167.4603 -268567.2801 -222068.5916 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
ENERGY: 365 18830.5841 19548.3420 5710.7558 180.6857 -335316.0965 22775.7825 0.0000 0.0000 45760.0889 -222509.8575 166.4626 -268269.9464 -222057.4400 166.4626 -1100.2609 -2433.4823 921491.4634 -1100.2609 -2433.4823
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ENERGY: 368 20561.5937 19748.2122 5739.6691 179.8275 -335728.0872 22808.6647 0.0000 0.0000 44272.8408 -222417.2792 161.0524 -266690.1200 -222068.2911 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
ENERGY: 369 20346.9677 19812.6208 5741.6370 179.5048 -336580.3307 22825.3354 0.0000 0.0000 45155.6311 -222518.6340 164.2638 -267674.2650 -222061.1001 164.2638 -3666.9890 -2542.4574 921491.4634 -3666.9890 -2542.4574
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 -337296.0554 22846.3045 0.0000 0.0000 44920.4947 -222493.4116 163.4084 -267413.9063 -222062.2625 163.4084 -4081.4435 -2576.8190 921491.4634 -4081.4435 -2576.8190
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ENERGY: 376 19884.0275 19962.1767 5703.2010 181.1433 -335321.8637 22772.8697 0.0000 0.0000 44434.3278 -222384.1177 161.6399 -266818.4456 -222050.5531 161.6399 -874.6225 -2439.6904 921491.4634 -874.6225 -2439.6904
ENERGY: 377 20646.4609 20251.1596 5706.5522 182.3249 -335763.5807 22794.3770 0.0000 0.0000 43848.2757 -222334.4304 159.5080 -266182.7062 -222041.4015 159.5080 -1819.5860 -2472.4988 921491.4634 -1819.5860 -2472.4988
ENERGY: 378 20473.8099 20495.6597 5711.4639 183.2952 -336584.2283 22821.5833 0.0000 0.0000 44474.7540 -222423.6623 161.7869 -266898.4163 -222044.3969 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 179.335, 0.460255/step Wall: 179.335, 0.460255/step, 0.0153418 hours remaining, 3224.191406 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 21263.6992 19910.9245 5714.6670 180.7420 -337128.0230 22911.2844 0.0000 0.0000 44707.9446 -222438.7612 162.6352 -267146.7058 -222048.1881 162.6352 -2023.0802 -2294.0132 921491.4634 -2023.0802 -2294.0132
ENERGY: 384 19625.4113 19596.0353 5710.5349 179.0647 -336052.0488 22884.2534 0.0000 0.0000 45539.1834 -222517.5658 165.6590 -268056.7492 -222062.0926 165.6590 -569.2380 -2166.9358 921491.4634 -569.2380 -2166.9358
ENERGY: 385 19327.8182 19356.8911 5707.7752 177.4354 -335210.6402 22871.6144 0.0000 0.0000 45299.7170 -222469.3889 164.7879 -267769.1059 -222051.0993 164.7879 215.3513 -2064.3636 921491.4634 215.3513 -2064.3636
ENERGY: 386 19981.2274 19220.9464 5707.6638 175.9384 -334865.1819 22880.7959 0.0000 0.0000 44519.8584 -222378.7516 161.9510 -266898.6099 -222051.0437 161.9510 122.6668 -2011.2427 921491.4634 122.6668 -2011.2427
ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8727 22905.2745 0.0000 0.0000 44377.1814 -222372.0349 161.4320 -266749.2163 -222053.0050 161.4320 -738.9585 -2019.1688 921491.4634 -738.9585 -2019.1688
ENERGY: 388 20282.3986 19280.0167 5717.2934 173.7038 -335824.1521 22938.2902 0.0000 0.0000 44972.7760 -222459.6734 163.5986 -267432.4493 -222067.4820 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -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 19906.7786 20200.7712 5721.4919 176.2273 -336102.8183 22990.0383 0.0000 0.0000 44712.8670 -222394.6440 162.6531 -267107.5110 -222042.6598 162.6531 -376.0861 -2327.2099 921491.4634 -376.0861 -2327.2099
ENERGY: 398 19692.8117 20133.3593 5716.9814 176.0456 -336812.3385 23014.0594 0.0000 0.0000 45592.7317 -222486.3495 165.8538 -268079.0812 -222045.7221 165.8538 -1710.2234 -2443.6962 921491.4634 -1710.2234 -2443.6962
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LDB: ============= START OF LOAD BALANCING ============== 197.234
LDB: Largest compute 230 load 0.526109 is 1.2% of average load 45.675088
LDB: Average compute 0.063966 is 0.1% of average load 45.675088
LDB: TIME 197.236 LOAD: AVG 45.6751 MAX 46.0636 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.19 MB
LDB: TIME 197.236 LOAD: AVG 45.6751 MAX 46.0636 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: TIME 197.236 LOAD: AVG 45.6751 MAX 46.0636 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.19 MB
LDB: ============== END OF LOAD BALANCING =============== 197.237
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 197.238
Info: Benchmark time: 4 CPUs 0.460576 s/step 5.33074 days/ns 3224.19 MB memory
TIMING: 400 CPU: 188.537, 0.460134/step Wall: 188.537, 0.460134/step, 0.0127815 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0478 19835.9107 5715.8942 173.8391 -338107.6286 23109.6387 0.0000 0.0000 44436.8089 -222391.4891 161.6489 -266828.2981 -222049.2227 161.6489 -4939.3791 -2681.7022 921491.4634 -4939.3791 -2681.7022
ENERGY: 403 20784.9693 19778.4827 5715.7218 174.2695 -337239.9782 23077.8411 0.0000 0.0000 45225.5953 -222483.0985 164.5183 -267708.6938 -222046.6855 164.5183 -3613.5975 -2605.7425 921491.4634 -3613.5975 -2605.7425
ENERGY: 404 19687.5953 19735.4027 5713.8114 175.5084 -336169.1136 23038.2909 0.0000 0.0000 45313.8382 -222504.6667 164.8393 -267818.5049 -222060.2369 164.8393 -1967.0744 -2494.0435 921491.4634 -1967.0744 -2494.0435
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ENERGY: 408 19735.8469 19387.6641 5692.2151 187.5226 -335902.8219 23017.8182 0.0000 0.0000 45394.4116 -222487.3433 165.1324 -267881.7549 -222063.5313 165.1324 -920.8279 -2294.1553 921491.4634 -920.8279 -2294.1553
ENERGY: 409 20350.1187 19376.4604 5688.4775 191.1593 -336896.6848 23057.9930 0.0000 0.0000 45733.6054 -222498.8705 166.3663 -268232.4759 -222051.6706 166.3663 -2367.4917 -2346.9323 921491.4634 -2367.4917 -2346.9323
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1417 20138.5251 5699.9334 199.7191 -337872.5326 23125.1122 0.0000 0.0000 45113.2141 -222465.8871 164.1095 -267579.1012 -222055.3455 164.1095 -3850.6269 -2398.9548 921491.4634 -3850.6269 -2398.9548
ENERGY: 414 19987.3857 20381.5509 5705.1135 199.5118 -337122.7806 23094.4563 0.0000 0.0000 45271.6526 -222483.1099 164.6858 -267754.7625 -222052.1625 164.6858 -2501.3242 -2333.9463 921491.4634 -2501.3242 -2333.9463
ENERGY: 415 19745.2667 20572.1262 5708.7452 198.1487 -336456.1981 23071.1995 0.0000 0.0000 44733.2273 -222427.4846 162.7272 -267160.7119 -222049.0347 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3169 20661.9899 5710.0857 195.6953 -336157.5870 23063.1718 0.0000 0.0000 44200.2851 -222384.0422 160.7885 -266584.3274 -222052.9645 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3749 20631.3211 5709.0494 192.4696 -336373.1083 23072.1100 0.0000 0.0000 44338.4622 -222398.3211 161.2911 -266736.7833 -222044.6994 161.2911 -112.4554 -2227.1701 921491.4634 -112.4554 -2227.1701
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6536 -336970.7874 23098.6727 0.0000 0.0000 44915.1426 -222450.9780 163.3889 -267366.1206 -222046.7094 163.3889 -671.8547 -2269.9923 921491.4634 -671.8547 -2269.9923
ENERGY: 419 20790.7632 20185.5524 5700.4810 184.6054 -337717.8761 23139.8023 0.0000 0.0000 45250.3104 -222466.3615 164.6082 -267716.6719 -222049.5951 164.6082 -1783.9423 -2336.6466 921491.4634 -1783.9423 -2336.6466
TIMING: 420 CPU: 197.714, 0.458857/step Wall: 197.714, 0.458857/step, 0.0101968 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 428 20140.4227 19760.4167 5710.4628 168.5259 -336199.9849 23087.7670 0.0000 0.0000 44884.2601 -222448.1297 163.2766 -267332.3898 -222058.0550 163.2766 -935.5734 -2206.9586 921491.4634 -935.5734 -2206.9586
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3702 20188.6727 5710.3546 168.1086 -338651.2099 23176.0839 0.0000 0.0000 45177.9914 -222461.6284 164.3451 -267639.6198 -222065.9057 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9071 20275.9667 5710.3763 168.4633 -338164.0636 23162.2905 0.0000 0.0000 45192.9287 -222453.1309 164.3995 -267646.0597 -222052.5980 164.3995 -3187.3735 -2272.1278 921491.4634 -3187.3735 -2272.1278
ENERGY: 434 20730.3412 20338.1504 5711.6061 169.3247 -337394.2703 23140.7730 0.0000 0.0000 44883.1000 -222420.9750 163.2724 -267304.0750 -222051.1461 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2201 20362.4019 5714.0003 170.8455 -336680.6554 23123.4093 0.0000 0.0000 44675.9841 -222398.7943 162.5190 -267074.7783 -222049.5887 162.5190 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9242 20349.9985 5717.2345 173.0864 -336303.8814 23119.9074 0.0000 0.0000 44847.0984 -222425.6320 163.1414 -267272.7304 -222059.6962 163.1414 -1520.6600 -2145.1619 921491.4634 -1520.6600 -2145.1619
ENERGY: 437 19434.5516 20329.5095 5720.9893 175.9827 -336411.9785 23136.3865 0.0000 0.0000 45159.2686 -222455.2904 164.2770 -267614.5590 -222050.7506 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1532 20278.6098 5724.6883 179.3848 -336899.4575 23173.5517 0.0000 0.0000 45148.1321 -222459.9376 164.2365 -267608.0697 -222051.5671 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 206.888, 0.458696/step Wall: 206.888, 0.458696/step, 0.00764493 hours remaining, 3224.191406 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 20036.2371 5729.7527 186.7201 -338123.1798 23276.2484 0.0000 0.0000 44417.5453 -222405.1079 161.5788 -266822.6532 -222059.4773 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
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ENERGY: 442 21853.6117 19664.5345 5729.4854 192.9411 -338090.1521 23327.1567 0.0000 0.0000 44880.6314 -222441.7913 163.2634 -267322.4227 -222049.7755 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3315 19487.0717 5727.6164 194.9329 -337369.3138 23320.0158 0.0000 0.0000 45118.1101 -222457.2354 164.1273 -267575.3455 -222048.5995 164.1273 -2448.1648 -2220.3530 921491.4634 -2448.1648 -2220.3530
ENERGY: 444 20449.3363 19357.2684 5725.4095 195.8735 -336464.1915 23301.5276 0.0000 0.0000 44987.7172 -222447.0590 163.6530 -267434.7762 -222057.9800 163.6530 -2090.2100 -2206.4399 921491.4634 -2090.2100 -2206.4399
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ENERGY: 446 19947.6805 19324.9001 5722.5430 194.3235 -335494.5705 23276.0452 0.0000 0.0000 44620.2943 -222408.7841 162.3164 -267029.0783 -222046.1622 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2848 19416.0207 5722.2107 191.8642 -335769.4400 23282.7459 0.0000 0.0000 44816.5086 -222425.8052 163.0301 -267242.3138 -222046.8345 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5921 19583.6799 5722.5764 188.5554 -336503.1805 23303.8905 0.0000 0.0000 45065.6673 -222451.2189 163.9365 -267516.8862 -222059.3484 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1302 5724.4776 181.0898 -338419.3261 23364.6243 0.0000 0.0000 44854.3097 -222432.2090 163.1677 -267286.5187 -222048.7864 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
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ENERGY: 452 22246.2016 20536.0137 5723.8953 174.8859 -338927.1550 23378.0944 0.0000 0.0000 44452.9198 -222415.1441 161.7075 -266868.0640 -222059.6372 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8727 20641.1314 5722.2878 173.1350 -338392.7946 23354.5909 0.0000 0.0000 44683.7036 -222418.0732 162.5470 -267101.7768 -222043.5373 162.5470 -2048.3338 -2342.4668 921491.4634 -2048.3338 -2342.4668
ENERGY: 454 20248.3382 20654.1376 5720.2217 172.3637 -337567.1425 23320.6903 0.0000 0.0000 45008.1467 -222443.2443 163.7273 -267451.3911 -222041.8393 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7908 20584.7122 5718.4844 172.5169 -336790.6461 23290.4025 0.0000 0.0000 45086.5789 -222451.1605 164.0126 -267537.7394 -222040.8572 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3722 20440.6801 5717.7555 173.4248 -336350.1081 23274.9633 0.0000 0.0000 44811.4724 -222438.4397 163.0118 -267249.9121 -222055.3487 163.0118 -1305.5003 -2245.5822 921491.4634 -1305.5003 -2245.5822
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8167 23277.8277 0.0000 0.0000 44521.8702 -222403.2004 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8435 20019.2722 5720.7060 176.6081 -336835.0959 23294.7175 0.0000 0.0000 44632.7884 -222405.1601 162.3618 -267037.9485 -222051.2824 162.3618 -2684.6987 -2301.0426 921491.4634 -2684.6987 -2301.0426
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TIMING: 460 CPU: 216.051, 0.458145/step Wall: 216.051, 0.458145/step, 0.0050905 hours remaining, 3224.191406 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 462 22264.2254 19487.8103 5736.4822 180.9531 -337988.7159 23351.1089 0.0000 0.0000 44559.9284 -222408.2075 162.0968 -266968.1359 -222056.7215 162.0968 -2954.8198 -2323.4249 921491.4634 -2954.8198 -2323.4249
ENERGY: 463 21821.1789 19513.9008 5738.9361 181.1160 -337284.1017 23326.9481 0.0000 0.0000 44313.4565 -222388.5653 161.2002 -266702.0218 -222054.6243 161.2002 -2012.4422 -2264.0777 921491.4634 -2012.4422 -2264.0777
ENERGY: 464 20535.2457 19559.9265 5739.2518 181.0096 -336389.3830 23291.1945 0.0000 0.0000 44654.0263 -222428.7286 162.4391 -267082.7549 -222058.5730 162.4391 -1050.9224 -2205.5267 921491.4634 -1050.9224 -2205.5267
ENERGY: 465 19322.7825 19631.8848 5737.2898 180.7155 -335701.1527 23259.7395 0.0000 0.0000 45094.5684 -222474.1721 164.0416 -267568.7405 -222052.9389 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4510 19708.3577 5733.2107 180.2808 -335443.7722 23245.0608 0.0000 0.0000 45020.7905 -222467.6208 163.7733 -267488.4113 -222052.9787 163.7733 -630.3313 -2182.6709 921491.4634 -630.3313 -2182.6709
ENERGY: 467 19841.8069 19783.1740 5727.6703 179.7757 -335721.0952 23249.4534 0.0000 0.0000 44523.6664 -222415.5484 161.9649 -266939.2148 -222054.3496 161.9649 -1393.6029 -2232.5923 921491.4634 -1393.6029 -2232.5923
ENERGY: 468 20761.8482 19845.4943 5721.5089 179.2779 -336451.5674 23265.8130 0.0000 0.0000 44291.6586 -222385.9666 161.1209 -266677.6252 -222056.3594 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3017 19910.2024 5715.6824 178.8504 -337458.3215 23284.3967 0.0000 0.0000 44720.3204 -222412.5676 162.6802 -267132.8880 -222046.0753 162.6802 -3596.7409 -2405.7973 921491.4634 -3596.7409 -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 21411.1733 19972.8939 5710.9491 178.5947 -338383.2525 23297.0678 0.0000 0.0000 45346.4577 -222466.1160 164.9580 -267812.5737 -222047.6092 164.9580 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8680 20054.6841 5707.9626 178.5890 -338913.2472 23297.5091 0.0000 0.0000 45471.3370 -222470.2974 165.4122 -267941.6344 -222047.5363 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2362 20161.5558 5707.0091 178.9047 -338870.6786 23279.4498 0.0000 0.0000 45028.5301 -222433.9929 163.8014 -267462.5230 -222059.5058 163.8014 -3659.7362 -2479.9185 921491.4634 -3659.7362 -2479.9185
ENERGY: 473 21866.1362 20289.3433 5707.9843 179.6165 -338307.7210 23240.7371 0.0000 0.0000 44634.5179 -222389.3858 162.3681 -267023.9037 -222043.8539 162.3681 -2556.3616 -2408.1658 921491.4634 -2556.3616 -2408.1658
ENERGY: 474 20842.9704 20372.0992 5710.2160 180.7466 -337438.4571 23189.2356 0.0000 0.0000 44733.2311 -222409.9581 162.7272 -267143.1892 -222041.2619 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
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ENERGY: 476 19235.7862 20282.0278 5715.7683 184.0125 -336100.0919 23115.8475 0.0000 0.0000 45106.0635 -222460.5861 164.0835 -267566.6496 -222053.6138 164.0835 -92.4047 -2183.0652 921491.4634 -92.4047 -2183.0652
ENERGY: 477 19704.7249 20145.9815 5718.4976 185.9230 -336101.8801 23114.2947 0.0000 0.0000 44812.3209 -222420.1375 163.0149 -267232.4583 -222044.8411 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4774 19974.7637 5721.0254 187.7262 -336537.4043 23131.2468 0.0000 0.0000 44627.0333 -222402.1315 162.3409 -267029.1647 -222047.4107 162.3409 -1807.1602 -2198.7954 921491.4634 -1807.1602 -2198.7954
ENERGY: 479 21125.3055 19793.3953 5723.3295 189.2099 -337215.5841 23156.6780 0.0000 0.0000 44802.1577 -222425.5083 162.9779 -267227.6659 -222050.5460 162.9779 -3089.8514 -2246.7915 921491.4634 -3089.8514 -2246.7915
TIMING: 480 CPU: 225.208, 0.457838/step Wall: 225.208, 0.457838/step, 0.00254355 hours remaining, 3224.191406 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: 482 22186.3467 19466.6787 5728.4964 190.3598 -338044.5414 23192.7481 0.0000 0.0000 44865.8517 -222414.0600 163.2096 -267279.9117 -222051.4112 163.2096 -4059.3094 -2278.0610 921491.4634 -4059.3094 -2278.0610
ENERGY: 483 21553.1414 19511.5738 5729.5660 189.3227 -337426.2181 23165.8746 0.0000 0.0000 44861.8966 -222414.8429 163.1952 -267276.7395 -222048.7672 163.1952 -2964.1717 -2216.4111 921491.4634 -2964.1717 -2216.4111
ENERGY: 484 20460.8927 19631.1933 5730.2465 187.5455 -336590.8883 23126.1357 0.0000 0.0000 45003.6027 -222451.2719 163.7107 -267454.8746 -222059.8744 163.7107 -1565.2422 -2143.1848 921491.4634 -1565.2422 -2143.1848
ENERGY: 485 19688.7722 19800.2987 5730.5256 185.2458 -335902.5865 23092.8475 0.0000 0.0000 44955.5720 -222449.3247 163.5360 -267404.8967 -222045.9607 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5428 19954.8173 5729.7198 182.4662 -335612.3566 23080.3811 0.0000 0.0000 44645.9111 -222416.5183 162.4096 -267062.4295 -222044.6762 162.4096 87.3182 -2070.0981 921491.4634 87.3182 -2070.0981
ENERGY: 487 19881.0925 20072.0211 5727.4348 179.4360 -335846.4480 23091.0547 0.0000 0.0000 44503.3489 -222392.0601 161.8910 -266895.4090 -222045.2409 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2097 20156.1361 5723.5441 176.4338 -336552.5450 23118.8618 0.0000 0.0000 44827.0553 -222425.3042 163.0685 -267252.3595 -222057.1939 163.0685 -1145.7532 -2194.6678 921491.4634 -1145.7532 -2194.6678
ENERGY: 489 20526.8870 20236.4610 5718.5749 173.8639 -337540.4654 23156.7311 0.0000 0.0000 45266.1000 -222461.8474 164.6656 -267727.9475 -222045.6087 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 20292.9024 5712.8912 171.8438 -338458.1360 23196.4878 0.0000 0.0000 45213.5625 -222459.6994 164.4745 -267673.2620 -222048.2209 164.4745 -3823.4038 -2437.4153 921491.4634 -3823.4038 -2437.4153
ENERGY: 491 22430.4639 20312.1364 5707.3795 170.5404 -338984.5794 23226.0937 0.0000 0.0000 44733.0085 -222404.9570 162.7264 -267137.9655 -222049.4639 162.7264 -4629.6933 -2524.6214 921491.4634 -4629.6933 -2524.6214
ENERGY: 492 22612.9546 20289.6816 5702.9945 170.0208 -338937.5816 23232.7204 0.0000 0.0000 44542.1947 -222387.0151 162.0323 -266929.2098 -222060.3860 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2188 20260.7381 5700.7779 170.3200 -338358.0634 23214.0535 0.0000 0.0000 45033.8225 -222420.1325 163.8207 -267453.9551 -222046.5900 163.8207 -3796.3818 -2540.0996 921491.4634 -3796.3818 -2540.0996
ENERGY: 494 20068.3368 20225.0269 5700.9806 171.2193 -337454.3835 23183.0793 0.0000 0.0000 45622.2468 -222483.4939 165.9612 -268105.7407 -222044.0867 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2465 20186.8308 5703.5926 172.5416 -336566.9884 23159.4622 0.0000 0.0000 45484.1223 -222477.1924 165.4587 -267961.3147 -222041.5563 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4833 20130.6479 5708.0350 174.0933 -335998.7151 23154.2632 0.0000 0.0000 44699.5263 -222409.6660 162.6046 -267109.1923 -222049.0670 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6665 20059.9180 5713.4613 175.7242 -335952.5035 23166.3541 0.0000 0.0000 44261.0283 -222363.3511 161.0095 -266624.3794 -222042.7501 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0162 19957.1217 5718.5597 177.2604 -336366.4924 23189.3580 0.0000 0.0000 44728.2530 -222413.9234 162.7091 -267142.1764 -222044.5220 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0678 19847.7307 5722.4089 178.6361 -337058.4814 23219.2399 0.0000 0.0000 45439.2640 -222493.1340 165.2956 -267932.3980 -222047.2063 165.2956 -2020.8689 -2376.3391 921491.4634 -2020.8689 -2376.3391
Info: Benchmark time: 4 CPUs 0.457569 s/step 5.29593 days/ns 3224.19 MB memory
TIMING: 500 CPU: 234.294, 0.454314/step Wall: 234.294, 0.454314/step, 0 hours remaining, 3224.191406 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 20974.8938 19756.6580 5724.4523 179.8271 -337741.4186 23251.1004 0.0000 0.0000 45359.0775 -222495.4095 165.0039 -267854.4870 -222061.0913 165.0039 -3197.5171 -2425.4144 921491.4634 -3197.5171 -2425.4144
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, 3229.641 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.641 MB of memory in use
====================================================
WallClock: 243.879898 CPUTime: 243.879898 Memory: 3229.640625 MB
[Partition 0][Node 0] End of program
Application 110227049 resources: utime ~953s, stime ~22s, Rss ~127032, inblocks ~67011, outblocks ~72240
Displaying status file:
verified
WALL=243.879898
CPU=243.879898
MEM=3229.640625
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins8683309101397835661.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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