Skipping 713 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 ============== 54.5223
LDB: Largest compute 200 load 0.428403 is 1.2% of average load 36.808386
LDB: Average compute 0.051560 is 0.1% of average load 36.808386
LDB: Partitioning computes with target load 3.680839
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.054895
LDB: ============== END OF LOAD BALANCING =============== 54.5245
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5254
Info: Initial time: 4 CPUs 0.475615 s/step 5.50481 days/ns 3221.6 MB memory
TIMING: 100 CPU: 48.5364, 0.474585/step Wall: 48.5364, 0.474585/step, 0.0527316 hours remaining, 3221.597656 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 ============== 64.001
LDB: ============== END OF LOAD BALANCING =============== 64.0011
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.0016
TIMING: 120 CPU: 58.0118, 0.473772/step Wall: 58.0118, 0.473772/step, 0.0500093 hours remaining, 3221.804688 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 -334776.0138 21118.0422 0.0000 0.0000 44811.1496 -222472.9670 163.0106 -267284.1166 -222216.5368 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9954 19804.6627 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5102 -222488.2062 160.8657 -266709.7164 -222215.1808 160.8657 -5164.7862 -2872.9597 921491.4634 -5164.7862 -2872.9597
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ENERGY: 133 21569.7009 21939.4305 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5714 -222331.6174 150.4075 -263678.1887 -222209.0244 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 138 21874.8526 19195.4801 5730.8549 192.8766 -333203.4345 21083.5324 0.0000 0.0000 42784.9639 -222340.8740 155.6399 -265125.8379 -222213.1817 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.4791, 0.473364/step Wall: 67.4791, 0.473364/step, 0.0473364 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
ENERGY: 140 20992.5976 17997.1578 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3948 -222224.0363 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 -334899.3753 20845.5771 0.0000 0.0000 44606.5897 -222515.5246 162.2665 -267122.1142 -222153.2667 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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TIMING: 160 CPU: 76.9349, 0.472787/step Wall: 76.9349, 0.472787/step, 0.0446521 hours remaining, 3222.160156 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: 161 21561.6000 18685.5960 5704.9782 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7112 -222493.9568 160.8628 -266714.6681 -222160.9740 160.8628 -4385.1101 -2823.4851 921491.4634 -4385.1101 -2823.4851
ENERGY: 162 22512.8124 18508.1493 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6066 -222342.9106 156.6790 -265413.5172 -222161.4908 156.6790 -5004.1553 -2859.8870 921491.4634 -5004.1553 -2859.8870
ENERGY: 163 21937.9851 18346.8657 5696.1509 188.4544 -332368.8223 20884.6196 0.0000 0.0000 43005.6960 -222309.0506 156.4429 -265314.7467 -222160.7803 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 167 21026.8308 19216.2867 5755.9248 205.8794 -332212.1862 20917.6389 0.0000 0.0000 42775.8060 -222313.8197 155.6066 -265089.6257 -222150.5300 155.6066 -1671.2500 -2889.5868 921491.4634 -1671.2500 -2889.5868
ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3349 -222325.8218 154.5754 -264818.1567 -222149.7709 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
ENERGY: 169 20648.4665 20870.4069 5789.9166 204.9287 -334596.5071 20994.5723 0.0000 0.0000 43600.1910 -222488.0253 158.6055 -266088.2162 -222133.5317 158.6055 -2095.8777 -2988.7947 921491.4634 -2095.8777 -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 21574.3800 5797.0542 201.1981 -335480.2502 21017.8094 0.0000 0.0000 43834.2689 -222570.5384 159.4570 -266404.8072 -222135.2422 159.4570 -2696.1967 -3030.4960 921491.4634 -2696.1967 -3030.4960
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ENERGY: 176 19195.1040 18891.7629 5743.5896 160.0071 -332124.2130 20943.2095 0.0000 0.0000 44722.5121 -222468.0279 162.6882 -267190.5399 -222127.3370 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3197 18664.1735 5738.9484 156.2659 -332371.2415 20981.6518 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8821 -222125.5137 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7901 18733.9559 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.379, 0.472207/step Wall: 86.379, 0.472207/step, 0.041974 hours remaining, 3222.300781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8754 19424.9915 5710.5468 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5528 -222572.3093 163.2631 -267452.8621 -222144.6144 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0407 19234.9571 5686.4352 181.9571 -332240.0939 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2890 161.4844 -2596.4733 -2731.4263 921491.4634 -2596.4733 -2731.4263
ENERGY: 187 22073.2969 19471.4303 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0858 -222130.9082 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8664 19594.9320 5717.4229 183.5644 -332319.6952 21082.8579 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 21700.3672 19122.7581 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3654 -222242.4588 154.8738 -264816.8242 -222086.7181 154.8738 -3040.7438 -2596.5495 921491.4634 -3040.7438 -2596.5495
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6810 -2646.7680 921491.4634 -4381.6810 -2646.7680
ENERGY: 199 20113.4048 18634.4040 5710.3429 188.2374 -334151.8589 21182.1777 0.0000 0.0000 45722.9589 -222600.3331 166.3276 -268323.2921 -222093.2752 166.3276 -5152.2286 -2691.5412 921491.4634 -5152.2286 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.814
LDB: Largest compute 200 load 0.424029 is 1.2% of average load 36.619700
LDB: Average compute 0.051293 is 0.1% of average load 36.619700
LDB: TIME 101.816 LOAD: AVG 36.6197 MAX 37.8125 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 101.818 LOAD: AVG 36.6197 MAX 37.589 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 101.82
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.823
Info: Initial time: 4 CPUs 0.472805 s/step 5.47228 days/ns 3223.57 MB memory
TIMING: 200 CPU: 95.8268, 0.472387/step Wall: 95.8268, 0.472387/step, 0.0393656 hours remaining, 3223.570312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6350 5711.8747 190.0258 -334670.2812 21209.9248 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7131 21239.1340 0.0000 0.0000 43222.4694 -222327.9742 157.2315 -265550.4436 -222100.1078 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2752 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6234 -222096.8291 154.3580 -3005.0517 -2588.0013 921491.4634 -3005.0517 -2588.0013
ENERGY: 203 20743.8943 19130.0390 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
ENERGY: 204 17862.6122 19486.9556 5734.1463 191.2124 -332722.2196 21188.8403 0.0000 0.0000 45629.4719 -222628.9808 165.9875 -268258.4528 -222116.7000 165.9875 452.9935 -2462.2929 921491.4634 452.9935 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6741 -332398.2549 21197.9186 0.0000 0.0000 44690.7148 -222526.2115 162.5725 -267216.9263 -222099.8059 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
ENERGY: 206 20668.8903 20170.9986 5732.9811 187.6404 -332716.3432 21241.8391 0.0000 0.0000 42439.0583 -222274.9355 154.3816 -264713.9938 -222100.3396 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8034 20338.2890 5726.5434 185.3060 -333603.9790 21289.9001 0.0000 0.0000 42143.6913 -222226.4458 153.3072 -264370.1371 -222103.0931 153.3072 -1896.3479 -2585.9682 921491.4634 -1896.3479 -2585.9682
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6271 -222472.1867 161.6191 -266900.8138 -222122.6316 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6802 -222642.3817 168.3309 -268916.0619 -222106.7902 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -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 21385.1735 20194.2568 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4335 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1928 19985.8631 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1639 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7807 -222504.4449 165.2210 -267923.2256 -222097.3837 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3938 21358.4485 0.0000 0.0000 46958.4703 -222681.1887 170.8220 -269639.6590 -222093.7409 170.8220 -143.6684 -2626.0579 921491.4634 -143.6684 -2626.0579
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3325 21379.5596 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5664 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4719 19522.5063 5756.9571 180.1770 -332560.1065 21436.4836 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3869 19581.4821 5762.2416 182.5517 -333010.6762 21497.2705 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1151 21546.6561 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2199 -222068.8157 160.7099 -2628.0654 -2703.9746 921491.4634 -2628.0654 -2703.9746
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TIMING: 220 CPU: 105.26, 0.471675/step Wall: 105.26, 0.471675/step, 0.0366859 hours remaining, 3223.570312 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: 114.685, 0.471256/step Wall: 114.685, 0.471256/step, 0.0340352 hours remaining, 3223.570312 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 22110.7715 20111.8208 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6444 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2463 19849.3933 5737.4544 169.6534 -334482.6007 21720.5676 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7296 -2573.2149 921491.4634 -2667.7296 -2573.2149
ENERGY: 245 20148.2369 19811.7598 5725.7784 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5247 -222360.5916 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4182 -222284.3177 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1842 21719.8455 0.0000 0.0000 44912.1912 -222431.6936 163.3782 -267343.8849 -222068.1393 163.3782 -983.0001 -2552.5930 921491.4634 -983.0001 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6226 -222090.3126 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9040 20013.1599 5733.2541 193.8023 -336093.2677 21826.9295 0.0000 0.0000 43905.3722 -222425.8457 159.7157 -266331.2178 -222091.3306 159.7157 -3843.4681 -2758.0338 921491.4634 -3843.4681 -2758.0338
ENERGY: 253 19499.8636 19667.1123 5729.5496 195.2411 -334977.1808 21784.0536 0.0000 0.0000 45520.0193 -222581.3412 165.5893 -268101.3606 -222082.7206 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
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ENERGY: 255 20324.2312 19109.4103 5707.6062 196.0620 -333099.9234 21746.1515 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5974 21757.6847 0.0000 0.0000 43181.1613 -222297.2437 157.0812 -265478.4050 -222071.2739 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1875 5681.1759 194.7976 -333481.0041 21780.2419 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1546 21817.5077 0.0000 0.0000 45796.2578 -222556.7761 166.5942 -268353.0340 -222062.0607 166.5942 -2331.2330 -2737.1920 921491.4634 -2331.2330 -2737.1920
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TIMING: 260 CPU: 124.098, 0.470655/step Wall: 124.098, 0.470655/step, 0.031377 hours remaining, 3223.875000 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 21606.2723 19814.6776 5694.0656 188.7122 -336291.7857 21947.6074 0.0000 0.0000 44601.6347 -222438.8160 162.2485 -267040.4506 -222052.4322 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1227 20140.5621 5703.8103 187.9445 -335614.9710 21924.4740 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0575 -222051.1547 164.9700 -2647.8113 -2773.3903 921491.4634 -2647.8113 -2773.3903
ENERGY: 264 19385.2260 20436.4304 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1924 -2723.5293 921491.4634 -2191.1924 -2723.5293
ENERGY: 265 19946.8415 20681.9924 5713.6241 187.4393 -334395.6631 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3815 -222055.6584 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2127 -2658.6181 921491.4634 -2903.2127 -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 22620.1934 19450.9167 5690.3173 187.1618 -336650.6775 22028.8070 0.0000 0.0000 44308.0075 -222365.2736 161.1804 -266673.2812 -222067.0433 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
ENERGY: 271 22345.5823 19078.8065 5690.0209 186.1610 -336571.7892 22035.2501 0.0000 0.0000 44829.4474 -222406.5210 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4614 22015.0579 0.0000 0.0000 45607.7078 -222503.3109 165.9083 -268111.0187 -222081.1571 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7012 21985.5295 0.0000 0.0000 45502.7162 -222499.9695 165.5264 -268002.6857 -222069.0458 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5271 -222412.2139 160.1637 -266440.7410 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8111 -222481.8217 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7546 -2498.0546 921491.4634 -2311.7546 -2498.0546
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2540 -222463.7060 161.9961 -266995.9600 -222063.4130 161.9961 -3254.8159 -2593.7697 921491.4634 -3254.8159 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5800 22096.4198 0.0000 0.0000 43975.0879 -222376.7278 159.9693 -266351.8157 -222065.2022 159.9693 -4044.3215 -2682.8390 921491.4634 -4044.3215 -2682.8390
TIMING: 280 CPU: 133.508, 0.470467/step Wall: 133.508, 0.470467/step, 0.0287507 hours remaining, 3223.875000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6309 20966.5622 5721.5032 185.8229 -334658.1148 22176.6863 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9093 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1480 22200.2910 0.0000 0.0000 44282.9439 -222485.6057 161.0892 -266768.5496 -222055.7251 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9558 182.7335 -335468.3149 22237.9037 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2279 -222066.9051 160.4855 -3310.5880 -2790.1553 921491.4634 -3310.5880 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.921
LDB: Largest compute 200 load 0.520455 is 1.1% of average load 45.755698
LDB: Average compute 0.064088 is 0.1% of average load 45.755698
LDB: TIME 148.922 LOAD: AVG 45.7557 MAX 47.0972 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 148.923 LOAD: AVG 45.7557 MAX 47.0972 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 148.939 LOAD: AVG 45.7557 MAX 46.2602 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 148.94
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.941
Info: Initial time: 4 CPUs 0.470659 s/step 5.44744 days/ns 3224.23 MB memory
TIMING: 300 CPU: 142.914, 0.470286/step Wall: 142.914, 0.470286/step, 0.026127 hours remaining, 3224.230469 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: 152.129, 0.460758/step Wall: 152.129, 0.460758/step, 0.0230379 hours remaining, 3224.230469 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: 161.341, 0.460604/step Wall: 161.341, 0.460604/step, 0.0204713 hours remaining, 3224.230469 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: 170.546, 0.460258/step Wall: 170.546, 0.460258/step, 0.0178989 hours remaining, 3224.230469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 364 19323.8974 19612.6016 5699.8913 181.0103 -336175.2000 22790.5194 0.0000 0.0000 46034.3489 -222532.9310 167.4603 -268567.2799 -222068.5916 167.4603 -1420.0423 -2476.3757 921491.4634 -1420.0423 -2476.3757
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ENERGY: 368 20561.5939 19748.2122 5739.6691 179.8275 -335728.0879 22808.6654 0.0000 0.0000 44272.8406 -222417.2792 161.0524 -266690.1198 -222068.2911 161.0524 -2928.4887 -2487.3069 921491.4634 -2928.4887 -2487.3069
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4608 20251.1592 5706.5522 182.3248 -335763.5805 22794.3777 0.0000 0.0000 43848.2756 -222334.4301 159.5080 -266182.7057 -222041.4012 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8101 20495.6594 5711.4639 183.2952 -336584.2283 22821.5840 0.0000 0.0000 44474.7537 -222423.6620 161.7869 -266898.4157 -222044.3966 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.747, 0.460045/step Wall: 179.747, 0.460045/step, 0.0153348 hours remaining, 3224.230469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4112 19596.0355 5710.5349 179.0647 -336052.0488 22884.2537 0.0000 0.0000 45539.1831 -222517.5656 165.6590 -268056.7488 -222062.0924 165.6590 -569.2376 -2166.9356 921491.4634 -569.2376 -2166.9356
ENERGY: 385 19327.8181 19356.8913 5707.7752 177.4354 -335210.6403 22871.6147 0.0000 0.0000 45299.7169 -222469.3888 164.7879 -267769.1057 -222051.0992 164.7879 215.3518 -2064.3634 921491.4634 215.3518 -2064.3634
ENERGY: 386 19981.2273 19220.9466 5707.6638 175.9384 -334865.1820 22880.7961 0.0000 0.0000 44519.8585 -222378.7514 161.9510 -266898.6099 -222051.0436 161.9510 122.6672 -2011.2426 921491.4634 122.6672 -2011.2426
ENERGY: 387 20367.2861 19202.4845 5710.9355 174.6759 -335109.8729 22905.2747 0.0000 0.0000 44377.1815 -222372.0348 161.4320 -266749.2163 -222053.0048 161.4320 -738.9584 -2019.1687 921491.4634 -738.9584 -2019.1687
ENERGY: 388 20282.3989 19280.0168 5717.2935 173.7038 -335824.1523 22938.2903 0.0000 0.0000 44972.7761 -222459.6730 163.5986 -267432.4490 -222067.4816 163.5986 -2063.8554 -2076.2819 921491.4634 -2063.8554 -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
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ENERGY: 397 19906.7784 20200.7712 5721.4919 176.2273 -336102.8181 22990.0376 0.0000 0.0000 44712.8678 -222394.6439 162.6531 -267107.5117 -222042.6597 162.6531 -376.0863 -2327.2101 921491.4634 -376.0863 -2327.2101
ENERGY: 398 19692.8117 20133.3593 5716.9814 176.0456 -336812.3385 23014.0586 0.0000 0.0000 45592.7325 -222486.3493 165.8538 -268079.0818 -222045.7219 165.8538 -1710.2237 -2443.6965 921491.4634 -1710.2237 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.977
LDB: Largest compute 230 load 0.521012 is 1.1% of average load 45.688011
LDB: Average compute 0.063982 is 0.1% of average load 45.688011
LDB: TIME 194.979 LOAD: AVG 45.688 MAX 46.0356 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 194.979 LOAD: AVG 45.688 MAX 46.0356 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 194.979 LOAD: AVG 45.688 MAX 46.0356 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 194.98
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.981
Info: Benchmark time: 4 CPUs 0.460295 s/step 5.32749 days/ns 3224.23 MB memory
TIMING: 400 CPU: 188.947, 0.460013/step Wall: 188.947, 0.460013/step, 0.0127781 hours remaining, 3224.230469 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 19835.9109 5715.8942 173.8391 -338107.6287 23109.6378 0.0000 0.0000 44436.8100 -222391.4890 161.6489 -266828.2990 -222049.2225 161.6489 -4939.3794 -2681.7025 921491.4634 -4939.3794 -2681.7025
ENERGY: 403 20784.9693 19778.4828 5715.7218 174.2695 -337239.9783 23077.8401 0.0000 0.0000 45225.5964 -222483.0984 164.5183 -267708.6947 -222046.6853 164.5183 -3613.5977 -2605.7428 921491.4634 -3613.5977 -2605.7428
ENERGY: 404 19687.5952 19735.4028 5713.8114 175.5084 -336169.1136 23038.2899 0.0000 0.0000 45313.8393 -222504.6665 164.8393 -267818.5058 -222060.2367 164.8393 -1967.0744 -2494.0437 921491.4634 -1967.0744 -2494.0437
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ENERGY: 408 19735.8471 19387.6642 5692.2151 187.5226 -335902.8219 23017.8172 0.0000 0.0000 45394.4123 -222487.3433 165.1324 -267881.7556 -222063.5312 165.1324 -920.8283 -2294.1556 921491.4634 -920.8283 -2294.1556
ENERGY: 409 20350.1191 19376.4606 5688.4775 191.1592 -336896.6847 23057.9920 0.0000 0.0000 45733.6060 -222498.8704 166.3663 -268232.4764 -222051.6705 166.3663 -2367.4922 -2346.9326 921491.4634 -2367.4922 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5214 19470.1801 5687.6649 194.4179 -337813.1846 23106.2027 0.0000 0.0000 45077.0716 -222427.1261 163.9780 -267504.1977 -222054.6428 163.9780 -3838.6214 -2402.0241 921491.4634 -3838.6214 -2402.0241
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ENERGY: 413 21130.1416 20138.5248 5699.9334 199.7191 -337872.5318 23125.1114 0.0000 0.0000 45113.2146 -222465.8869 164.1095 -267579.1015 -222055.3453 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
ENERGY: 414 19987.3857 20381.5506 5705.1135 199.5118 -337122.7797 23094.4555 0.0000 0.0000 45271.6530 -222483.1097 164.6858 -267754.7626 -222052.1623 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2666 20572.1259 5708.7452 198.1487 -336456.1973 23071.1989 0.0000 0.0000 44733.2276 -222427.4844 162.7272 -267160.7120 -222049.0346 162.7272 -1174.6452 -2266.5616 921491.4634 -1174.6452 -2266.5616
ENERGY: 416 19942.3169 20661.9896 5710.0857 195.6953 -336157.5863 23063.1713 0.0000 0.0000 44200.2854 -222384.0421 160.7885 -266584.3275 -222052.9644 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3749 20631.3209 5709.0494 192.4696 -336373.1078 23072.1097 0.0000 0.0000 44338.4624 -222398.3209 161.2911 -266736.7833 -222044.6993 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6649 20457.0909 5705.5847 188.6536 -336970.7871 23098.6725 0.0000 0.0000 44915.1426 -222450.9778 163.3889 -267366.1205 -222046.7093 163.3889 -671.8547 -2269.9922 921491.4634 -671.8547 -2269.9922
ENERGY: 419 20790.7633 20185.5524 5700.4810 184.6054 -337717.8761 23139.8022 0.0000 0.0000 45250.3103 -222466.3613 164.6082 -267716.6716 -222049.5950 164.6082 -1783.9423 -2336.6465 921491.4634 -1783.9423 -2336.6465
TIMING: 420 CPU: 198.122, 0.458768/step Wall: 198.122, 0.458768/step, 0.0101949 hours remaining, 3224.230469 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 5689.6736 172.2145 -337416.8957 23180.6040 0.0000 0.0000 45183.9714 -222447.1063 164.3669 -267631.0777 -222051.5232 164.3669 -3955.8306 -2434.9305 921491.4634 -3955.8306 -2434.9305
ENERGY: 424 20531.3310 19270.7816 5692.6543 170.6563 -336406.2766 23140.4647 0.0000 0.0000 45151.0457 -222449.3432 164.2471 -267600.3889 -222060.4128 164.2471 -3030.1608 -2370.2033 921491.4634 -3030.1608 -2370.2033
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ENERGY: 426 19603.3346 19432.3070 5702.4947 169.0990 -335270.6880 23080.2893 0.0000 0.0000 44862.7386 -222420.4248 163.1983 -267283.1633 -222049.1091 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5316 19595.2899 5707.1504 168.7509 -335498.4324 23074.5008 0.0000 0.0000 44915.2776 -222438.9312 163.3894 -267354.2087 -222048.7339 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4230 19760.4171 5710.4628 168.5259 -336199.9855 23087.7678 0.0000 0.0000 44884.2593 -222448.1296 163.2766 -267332.3889 -222058.0548 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9874 20024.3740 5712.1700 168.1897 -338096.9206 23149.4494 0.0000 0.0000 44626.3096 -222402.4405 162.3382 -267028.7501 -222047.3914 162.3382 -2472.2457 -2268.0464 921491.4634 -2472.2457 -2268.0464
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ENERGY: 432 21768.3702 20188.6727 5710.3547 168.1086 -338651.2101 23176.0846 0.0000 0.0000 45177.9906 -222461.6287 164.3451 -267639.6192 -222065.9060 164.3451 -3350.2742 -2296.1498 921491.4634 -3350.2742 -2296.1498
ENERGY: 433 21200.9071 20275.9667 5710.3763 168.4633 -338164.0636 23162.2911 0.0000 0.0000 45192.9278 -222453.1312 164.3995 -267646.0591 -222052.5984 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3412 20338.1502 5711.6061 169.3247 -337394.2701 23140.7736 0.0000 0.0000 44883.0991 -222420.9753 163.2724 -267304.0744 -222051.1464 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2200 20362.4017 5714.0003 170.8455 -336680.6552 23123.4097 0.0000 0.0000 44675.9834 -222398.7946 162.5189 -267074.7780 -222049.5890 162.5189 -2061.3581 -2179.8951 921491.4634 -2061.3581 -2179.8951
ENERGY: 436 19670.9241 20349.9983 5717.2345 173.0864 -336303.8807 23119.9078 0.0000 0.0000 44847.0980 -222425.6316 163.1414 -267272.7296 -222059.6958 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5515 20329.5094 5720.9894 175.9827 -336411.9781 23136.3867 0.0000 0.0000 45159.2685 -222455.2899 164.2770 -267614.5584 -222050.7501 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1534 20278.6097 5724.6884 179.3848 -336899.4574 23173.5518 0.0000 0.0000 45148.1321 -222459.9372 164.2365 -267608.0693 -222051.5666 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 207.286, 0.458167/step Wall: 207.286, 0.458167/step, 0.00763611 hours remaining, 3224.230469 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2373 5729.7527 186.7202 -338123.1805 23276.2484 0.0000 0.0000 44417.5458 -222405.1076 161.5788 -266822.6534 -222059.4770 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5485 19860.0411 5730.3488 190.1146 -338361.1713 23313.2043 0.0000 0.0000 44502.6965 -222409.2176 161.8886 -266911.9141 -222050.0857 161.8886 -2716.1028 -2221.5313 921491.4634 -2716.1028 -2221.5313
ENERGY: 442 21853.6116 19664.5351 5729.4854 192.9412 -338090.1531 23327.1566 0.0000 0.0000 44880.6321 -222441.7911 163.2634 -267322.4232 -222049.7753 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3315 19487.0724 5727.6164 194.9329 -337369.3148 23320.0156 0.0000 0.0000 45118.1108 -222457.2352 164.1273 -267575.3459 -222048.5993 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3364 19357.2690 5725.4095 195.8735 -336464.1921 23301.5274 0.0000 0.0000 44987.7177 -222447.0586 163.6530 -267434.7763 -222057.9796 163.6530 -2090.2098 -2206.4399 921491.4634 -2090.2098 -2206.4399
ENERGY: 445 20125.5608 19307.2518 5723.6513 195.6942 -335759.3913 23283.8136 0.0000 0.0000 44708.7157 -222414.7040 162.6380 -267123.4196 -222046.5426 162.6380 -1846.9625 -2201.6926 921491.4634 -1846.9625 -2201.6926
ENERGY: 446 19947.6804 19324.9006 5722.5430 194.3235 -335494.5708 23276.0449 0.0000 0.0000 44620.2949 -222408.7837 162.3164 -267029.0786 -222046.1618 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2848 19416.0210 5722.2107 191.8641 -335769.4401 23282.7456 0.0000 0.0000 44816.5091 -222425.8048 163.0301 -267242.3139 -222046.8341 163.0301 -1993.3113 -2253.0603 921491.4634 -1993.3113 -2253.0603
ENERGY: 448 20187.5923 19583.6801 5722.5764 188.5554 -336503.1804 23303.8902 0.0000 0.0000 45065.6675 -222451.2185 163.9365 -267516.8860 -222059.3480 163.9365 -2372.1880 -2303.7899 921491.4634 -2372.1880 -2303.7899
ENERGY: 449 20877.4063 19832.6987 5723.5713 184.8596 -337500.9075 23334.5921 0.0000 0.0000 45101.1677 -222446.6119 164.0657 -267547.7795 -222047.7099 164.0657 -2827.1084 -2356.1408 921491.4634 -2827.1084 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1301 5724.4776 181.0897 -338419.3252 23364.6241 0.0000 0.0000 44854.3095 -222432.2086 163.1677 -267286.5181 -222048.7860 163.1677 -3116.6759 -2394.3897 921491.4634 -3116.6759 -2394.3897
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6517 -338952.0909 23381.8005 0.0000 0.0000 44542.6985 -222411.9100 162.0341 -266954.6086 -222048.8246 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2013 20536.0135 5723.8953 174.8859 -338927.1537 23378.0942 0.0000 0.0000 44452.9194 -222415.1440 161.7075 -266868.0635 -222059.6371 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8725 20641.1311 5722.2878 173.1350 -338392.7932 23354.5906 0.0000 0.0000 44683.7030 -222418.0731 162.5470 -267101.7761 -222043.5372 162.5470 -2048.3338 -2342.4669 921491.4634 -2048.3338 -2342.4669
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1411 23320.6900 0.0000 0.0000 45008.1461 -222443.2442 163.7273 -267451.3903 -222041.8392 163.7273 -1453.4578 -2293.1451 921491.4634 -1453.4578 -2293.1451
ENERGY: 455 19486.7906 20584.7119 5718.4844 172.5169 -336790.6449 23290.4022 0.0000 0.0000 45086.5784 -222451.1604 164.0126 -267537.7388 -222040.8571 164.0126 -1151.8823 -2255.8572 921491.4634 -1151.8823 -2255.8572
ENERGY: 456 19493.3720 20440.6799 5717.7556 173.4248 -336350.1072 23274.9631 0.0000 0.0000 44811.4722 -222438.4396 163.0118 -267249.9118 -222055.3486 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8163 23277.8274 0.0000 0.0000 44521.8701 -222403.2003 161.9583 -266925.0704 -222049.4133 161.9583 -1906.4166 -2263.5013 921491.4634 -1906.4166 -2263.5013
ENERGY: 458 20585.8437 20019.2722 5720.7061 176.6081 -336835.0958 23294.7173 0.0000 0.0000 44632.7884 -222405.1600 162.3618 -267037.9484 -222051.2823 162.3618 -2684.6989 -2301.0427 921491.4634 -2684.6989 -2301.0427
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TIMING: 460 CPU: 216.44, 0.457713/step Wall: 216.44, 0.457713/step, 0.0050857 hours remaining, 3224.230469 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 -338014.3763 23341.8002 0.0000 0.0000 45423.8561 -222480.6115 165.2395 -267904.4676 -222064.6834 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
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ENERGY: 462 22264.2254 19487.8109 5736.4823 180.9531 -337988.7163 23351.1086 0.0000 0.0000 44559.9288 -222408.2073 162.0968 -266968.1360 -222056.7212 162.0968 -2954.8199 -2323.4250 921491.4634 -2954.8199 -2323.4250
ENERGY: 463 21821.1790 19513.9015 5738.9361 181.1160 -337284.1021 23326.9478 0.0000 0.0000 44313.4567 -222388.5650 161.2002 -266702.0217 -222054.6240 161.2002 -2012.4422 -2264.0778 921491.4634 -2012.4422 -2264.0778
ENERGY: 464 20535.2458 19559.9271 5739.2518 181.0096 -336389.3835 23291.1942 0.0000 0.0000 44654.0264 -222428.7285 162.4391 -267082.7549 -222058.5730 162.4391 -1050.9225 -2205.5268 921491.4634 -1050.9225 -2205.5268
ENERGY: 465 19322.7825 19631.8853 5737.2899 180.7155 -335701.1531 23259.7392 0.0000 0.0000 45094.5686 -222474.1720 164.0416 -267568.7407 -222052.9389 164.0416 -512.3344 -2174.4008 921491.4634 -512.3344 -2174.4008
ENERGY: 466 19088.4510 19708.3581 5733.2107 180.2808 -335443.7725 23245.0605 0.0000 0.0000 45020.7907 -222467.6207 163.7733 -267488.4114 -222052.9786 163.7733 -630.3313 -2182.6710 921491.4634 -630.3313 -2182.6710
ENERGY: 467 19841.8071 19783.1742 5727.6704 179.7757 -335721.0952 23249.4531 0.0000 0.0000 44523.6664 -222415.5483 161.9649 -266939.2147 -222054.3496 161.9649 -1393.6030 -2232.5924 921491.4634 -1393.6030 -2232.5924
ENERGY: 468 20761.8486 19845.4943 5721.5090 179.2779 -336451.5668 23265.8126 0.0000 0.0000 44291.6583 -222385.9663 161.1209 -266677.6245 -222056.3591 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3020 19910.2022 5715.6824 178.8504 -337458.3205 23284.3963 0.0000 0.0000 44720.3200 -222412.5673 162.6802 -267132.8872 -222046.0750 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 21411.1732 19972.8935 5710.9491 178.5947 -338383.2511 23297.0674 0.0000 0.0000 45346.4574 -222466.1157 164.9579 -267812.5731 -222047.6089 164.9579 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8677 20054.6836 5707.9626 178.5890 -338913.2454 23297.5086 0.0000 0.0000 45471.3368 -222470.2971 165.4122 -267941.6339 -222047.5359 165.4122 -4290.5685 -2504.3176 921491.4634 -4290.5685 -2504.3176
ENERGY: 472 22081.2359 20161.5551 5707.0091 178.9047 -338870.6768 23279.4492 0.0000 0.0000 45028.5298 -222433.9929 163.8014 -267462.5227 -222059.5058 163.8014 -3659.7360 -2479.9184 921491.4634 -3659.7360 -2479.9184
ENERGY: 473 21866.1361 20289.3425 5707.9843 179.6165 -338307.7191 23240.7364 0.0000 0.0000 44634.5175 -222389.3859 162.3681 -267023.9033 -222043.8539 162.3681 -2556.3615 -2408.1658 921491.4634 -2556.3615 -2408.1658
ENERGY: 474 20842.9704 20372.0984 5710.2161 180.7466 -337438.4553 23189.2349 0.0000 0.0000 44733.2308 -222409.9581 162.7272 -267143.1890 -222041.2619 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
ENERGY: 475 19674.2079 20371.7671 5712.9876 182.2512 -336604.2314 23142.3818 0.0000 0.0000 45070.2142 -222450.4216 163.9531 -267520.6358 -222039.4530 163.9531 -344.6448 -2232.2126 921491.4634 -344.6448 -2232.2126
ENERGY: 476 19235.7861 20282.0272 5715.7683 184.0125 -336100.0904 23115.8466 0.0000 0.0000 45106.0637 -222460.5860 164.0835 -267566.6497 -222053.6136 164.0835 -92.4049 -2183.0652 921491.4634 -92.4049 -2183.0652
ENERGY: 477 19704.7251 20145.9811 5718.4976 185.9230 -336101.8791 23114.2939 0.0000 0.0000 44812.3210 -222420.1373 163.0149 -267232.4583 -222044.8410 163.0149 -667.4947 -2171.8228 921491.4634 -667.4947 -2171.8228
ENERGY: 478 20493.4779 19974.7637 5721.0254 187.7262 -336537.4037 23131.2459 0.0000 0.0000 44627.0333 -222402.1313 162.3409 -267029.1646 -222047.4105 162.3409 -1807.1606 -2198.7956 921491.4634 -1807.1606 -2198.7956
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2099 -337215.5837 23156.6770 0.0000 0.0000 44802.1577 -222425.5081 162.9779 -267227.6658 -222050.5458 162.9779 -3089.8518 -2246.7918 921491.4634 -3089.8518 -2246.7918
TIMING: 480 CPU: 225.588, 0.457404/step Wall: 225.588, 0.457404/step, 0.00254113 hours remaining, 3224.230469 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 -337854.6783 23181.5116 0.0000 0.0000 45051.6815 -222458.7549 163.8856 -267510.4364 -222064.6209 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
ENERGY: 481 22092.4851 19510.0432 5727.0952 190.6351 -338199.2476 23196.7956 0.0000 0.0000 45041.3370 -222440.8562 163.8480 -267482.1933 -222052.5264 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3465 19466.6792 5728.4964 190.3598 -338044.5412 23192.7471 0.0000 0.0000 44865.8522 -222414.0599 163.2096 -267279.9122 -222051.4111 163.2096 -4059.3097 -2278.0615 921491.4634 -4059.3097 -2278.0615
ENERGY: 483 21553.1413 19511.5743 5729.5660 189.3227 -337426.2178 23165.8736 0.0000 0.0000 44861.8971 -222414.8429 163.1953 -267276.7400 -222048.7671 163.1953 -2964.1721 -2216.4117 921491.4634 -2964.1721 -2216.4117
ENERGY: 484 20460.8927 19631.1937 5730.2465 187.5455 -336590.8879 23126.1347 0.0000 0.0000 45003.6032 -222451.2716 163.7107 -267454.8748 -222059.8741 163.7107 -1565.2424 -2143.1851 921491.4634 -1565.2424 -2143.1851
ENERGY: 485 19688.7722 19800.2989 5730.5256 185.2458 -335902.5861 23092.8466 0.0000 0.0000 44955.5725 -222449.3245 163.5360 -267404.8970 -222045.9605 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5429 19954.8175 5729.7198 182.4662 -335612.3563 23080.3803 0.0000 0.0000 44645.9116 -222416.5180 162.4096 -267062.4297 -222044.6759 162.4096 87.3178 -2070.0984 921491.4634 87.3178 -2070.0984
ENERGY: 487 19881.0927 20072.0212 5727.4348 179.4360 -335846.4476 23091.0539 0.0000 0.0000 44503.3492 -222392.0598 161.8910 -266895.4090 -222045.2406 161.8910 -192.2350 -2106.8842 921491.4634 -192.2350 -2106.8842
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5445 23118.8611 0.0000 0.0000 44827.0553 -222425.3039 163.0685 -267252.3592 -222057.1937 163.0685 -1145.7538 -2194.6682 921491.4634 -1145.7538 -2194.6682
ENERGY: 489 20526.8872 20236.4609 5718.5749 173.8639 -337540.4646 23156.7305 0.0000 0.0000 45266.1000 -222461.8471 164.6656 -267727.9471 -222045.6084 164.6656 -2511.2408 -2316.7068 921491.4634 -2511.2408 -2316.7068
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9022 5712.8912 171.8438 -338458.1349 23196.4873 0.0000 0.0000 45213.5625 -222459.6992 164.4745 -267673.2616 -222048.2206 164.4745 -3823.4041 -2437.4156 921491.4634 -3823.4041 -2437.4156
ENERGY: 491 22430.4636 20312.1361 5707.3795 170.5404 -338984.5781 23226.0933 0.0000 0.0000 44733.0085 -222404.9567 162.7264 -267137.9652 -222049.4636 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9543 20289.6810 5702.9945 170.0208 -338937.5805 23232.7202 0.0000 0.0000 44542.1947 -222387.0151 162.0323 -266929.2098 -222060.3861 162.0323 -4606.8523 -2557.4731 921491.4634 -4606.8523 -2557.4731
ENERGY: 493 21558.2185 20260.7374 5700.7779 170.3200 -338358.0624 23214.0533 0.0000 0.0000 45033.8226 -222420.1326 163.8207 -267453.9552 -222046.5901 163.8207 -3796.3817 -2540.0997 921491.4634 -3796.3817 -2540.0997
ENERGY: 494 20068.3365 20225.0262 5700.9806 171.2193 -337454.3827 23183.0792 0.0000 0.0000 45622.2470 -222483.4940 165.9612 -268105.7410 -222044.0868 165.9612 -2500.8991 -2482.1069 921491.4634 -2500.8991 -2482.1069
ENERGY: 495 19383.2464 20186.8302 5703.5926 172.5416 -336566.9880 23159.4622 0.0000 0.0000 45484.1224 -222477.1926 165.4587 -267961.3149 -222041.5564 165.4587 -1249.6837 -2407.3056 921491.4634 -1249.6837 -2407.3056
ENERGY: 496 19722.4836 20130.6475 5708.0350 174.0933 -335998.7149 23154.2633 0.0000 0.0000 44699.5262 -222409.6659 162.6046 -267109.1921 -222049.0670 162.6046 -478.8999 -2343.4751 921491.4634 -478.8999 -2343.4751
ENERGY: 497 20212.6670 20059.9180 5713.4613 175.7242 -335952.5035 23166.3543 0.0000 0.0000 44261.0278 -222363.3510 161.0095 -266624.3788 -222042.7500 161.0095 -421.0234 -2316.7928 921491.4634 -421.0234 -2316.7928
ENERGY: 498 20182.0166 19957.1219 5718.5597 177.2604 -336366.4925 23189.3583 0.0000 0.0000 44728.2524 -222413.9233 162.7091 -267142.1756 -222044.5219 162.7091 -993.4682 -2331.6473 921491.4634 -993.4682 -2331.6473
ENERGY: 499 20158.0678 19847.7311 5722.4090 178.6361 -337058.4814 23219.2402 0.0000 0.0000 45439.2634 -222493.1339 165.2956 -267932.3972 -222047.2062 165.2956 -2020.8689 -2376.3390 921491.4634 -2020.8689 -2376.3390
Info: Benchmark time: 4 CPUs 0.45719 s/step 5.29155 days/ns 3224.23 MB memory
TIMING: 500 CPU: 234.666, 0.453905/step Wall: 234.666, 0.453905/step, 0 hours remaining, 3224.230469 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 20974.8935 19756.6585 5724.4523 179.8271 -337741.4180 23251.1006 0.0000 0.0000 45359.0769 -222495.4091 165.0039 -267854.4860 -222061.0909 165.0039 -3197.5167 -2425.4141 921491.4634 -3197.5167 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.523 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.523 MB of memory in use
====================================================
WallClock: 241.583740 CPUTime: 241.583740 Memory: 3229.523438 MB
[Partition 0][Node 0] End of program
Application 110029670 resources: utime ~949s, stime ~19s, Rss ~126896, inblocks ~67011, outblocks ~72240
Displaying status file:
verified
WALL=241.583740
CPU=241.583740
MEM=3229.523438
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins13323461461263338721.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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