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 ============== 54.2559
LDB: Largest compute 200 load 0.433622 is 1.2% of average load 36.839163
LDB: Average compute 0.051596 is 0.1% of average load 36.839163
LDB: Partitioning computes with target load 3.683916
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055180
LDB: ============== END OF LOAD BALANCING =============== 54.2588
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2601
Info: Initial time: 4 CPUs 0.47437 s/step 5.49039 days/ns 3221.66 MB memory
TIMING: 100 CPU: 48.413, 0.473433/step Wall: 48.413, 0.473433/step, 0.0526036 hours remaining, 3221.656250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 63.7123
LDB: ============== END OF LOAD BALANCING =============== 63.7125
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7132
TIMING: 120 CPU: 57.8644, 0.472569/step Wall: 57.8644, 0.472569/step, 0.0498823 hours remaining, 3221.796875 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 21553.6089 18898.7761 5736.4508 185.0194 -334776.0139 21118.0423 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0557 -2842.3154 921491.4634 -5536.0557 -2842.3154
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3066, 0.472109/step Wall: 67.3066, 0.472109/step, 0.0472109 hours remaining, 3222.082031 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 20992.5979 17997.1577 5722.1741 192.2140 -333726.9444 21127.4061 0.0000 0.0000 45144.2513 -222551.1434 164.2224 -267695.3947 -222224.0362 164.2224 -5617.7629 -3080.3639 921491.4634 -5617.7629 -3080.3639
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.7381, 0.471575/step Wall: 76.7381, 0.471575/step, 0.0445377 hours remaining, 3222.218750 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 21561.6004 18685.5959 5704.9781 178.2042 -333710.7596 20865.7132 0.0000 0.0000 44220.7114 -222493.9563 160.8628 -266714.6677 -222160.9735 160.8628 -4385.1104 -2823.4852 921491.4634 -4385.1104 -2823.4852
ENERGY: 162 22512.8127 18508.1492 5697.2826 183.0024 -333202.6495 20887.8857 0.0000 0.0000 43070.6068 -222342.9101 156.6790 -265413.5169 -222161.4903 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8221 20884.6196 0.0000 0.0000 43005.6962 -222309.0502 156.4429 -265314.7464 -222160.7798 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1567 -222149.7708 154.5754 -1735.9906 -2933.5977 921491.4634 -1735.9906 -2933.5977
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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: 178 21917.7901 18733.9559 5737.6245 154.5770 -332975.2977 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.1564, 0.470917/step Wall: 86.1564, 0.470917/step, 0.0418593 hours remaining, 3222.359375 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 -222572.3092 163.2631 -267452.8620 -222144.6144 163.2631 -1576.6174 -2645.2274 921491.4634 -1576.6174 -2645.2274
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ENERGY: 186 19266.0405 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 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2969 19471.4304 5678.7398 184.6336 -333156.1129 21076.9264 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0858 -222130.9082 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3654 -222242.4587 154.8738 -264816.8241 -222086.7180 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2864 -222391.0320 159.7372 -266302.3184 -222090.4392 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.425
LDB: Largest compute 200 load 0.427172 is 1.2% of average load 36.648949
LDB: Average compute 0.051329 is 0.1% of average load 36.648949
LDB: TIME 101.427 LOAD: AVG 36.6489 MAX 37.711 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.7 MB
LDB: TIME 101.429 LOAD: AVG 36.6489 MAX 37.5365 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.7 MB
LDB: ============== END OF LOAD BALANCING =============== 101.431
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.435
Info: Initial time: 4 CPUs 0.471626 s/step 5.45864 days/ns 3223.93 MB memory
TIMING: 200 CPU: 95.5877, 0.471564/step Wall: 95.5877, 0.471564/step, 0.039297 hours remaining, 3223.933594 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 21073.6839 18595.6349 5711.8747 190.0258 -334670.2813 21209.9247 0.0000 0.0000 45319.1601 -222569.9772 164.8586 -267889.1373 -222114.5245 164.8586 -5241.8527 -2703.6813 921491.4634 -5241.8527 -2703.6813
ENERGY: 201 23380.1032 18674.3333 5716.2802 191.4188 -334751.7132 21239.1340 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2006 -2661.1900 921491.4634 -4546.2006 -2661.1900
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3006 21243.2751 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6234 -222096.8291 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6987 -222431.1634 160.2771 -266490.8621 -222093.6427 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
ENERGY: 204 17862.6123 19486.9556 5734.1463 191.2124 -332722.2199 21188.8402 0.0000 0.0000 45629.4720 -222628.9811 165.9875 -268258.4531 -222116.7003 165.9875 452.9935 -2462.2929 921491.4634 452.9935 -2462.2929
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2550 21197.9185 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9267 -222099.8062 162.5725 731.8537 -2447.6353 921491.4634 731.8537 -2447.6353
ENERGY: 206 20668.8902 20170.9986 5732.9811 187.6404 -332716.3434 21241.8390 0.0000 0.0000 42439.0583 -222274.9358 154.3816 -264713.9941 -222100.3399 154.3816 -230.6567 -2488.2937 921491.4634 -230.6567 -2488.2937
ENERGY: 207 21693.8033 20338.2890 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6912 -222226.4461 153.3072 -264370.1373 -222103.0934 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2704 20371.8903 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6269 -222472.1866 161.6191 -266900.8135 -222122.6314 161.6191 -3669.0643 -2719.7951 921491.4634 -3669.0643 -2719.7951
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 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 21385.1737 20194.2568 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2016 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1931 19985.8631 5704.9373 176.9105 -336667.8928 21415.1476 0.0000 0.0000 43031.7284 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2711 19730.8222 5710.0295 176.0352 -336013.6228 21412.5982 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8665 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7807 -222504.4448 165.2210 -267923.2255 -222097.3836 165.2210 -2174.3117 -2725.0842 921491.4634 -2174.3117 -2725.0842
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3937 21358.4485 0.0000 0.0000 46958.4704 -222681.1886 170.8220 -269639.6590 -222093.7408 170.8220 -143.6684 -2626.0579 921491.4634 -143.6684 -2626.0579
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3324 21379.5595 0.0000 0.0000 45302.6746 -222527.8918 164.7987 -267830.5664 -222091.0448 164.7987 784.0015 -2554.0369 921491.4634 784.0015 -2554.0369
ENERGY: 216 20973.4718 19522.5062 5756.9571 180.1770 -332560.1063 21436.4835 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5106 -222073.6157 154.3930 420.9901 -2541.5429 921491.4634 420.9901 -2541.5429
ENERGY: 217 21778.3868 19581.4821 5762.2416 182.5517 -333010.6761 21497.2705 0.0000 0.0000 41983.6750 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1700 -2598.7244 921491.4634 -882.1700 -2598.7244
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1151 21546.6560 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2199 -222068.8156 160.7099 -2628.0654 -2703.9747 921491.4634 -2628.0654 -2703.9747
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TIMING: 220 CPU: 105.02, 0.471595/step Wall: 105.02, 0.471595/step, 0.0366796 hours remaining, 3223.933594 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: 114.442, 0.471101/step Wall: 114.442, 0.471101/step, 0.0340239 hours remaining, 3223.933594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0423 20119.9136 5760.6910 171.4213 -335766.3629 21854.4253 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0953 155.1180 -3844.9086 -2568.3896 921491.4634 -3844.9086 -2568.3896
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ENERGY: 242 22110.7717 20111.8209 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8720 -222396.7195 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3934 5737.4544 169.6534 -334482.6009 21720.5677 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7771 165.9864 -2667.7296 -2573.2150 921491.4634 -2667.7296 -2573.2150
ENERGY: 245 20148.2369 19811.7599 5725.7785 171.4559 -334087.5946 21701.2471 0.0000 0.0000 44168.5246 -222360.5917 160.6730 -266529.1164 -222068.6366 160.6730 -1771.6899 -2533.5454 921491.4634 -1771.6899 -2533.5454
ENERGY: 246 20878.5482 19853.7024 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7359 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1248 -2608.3067 921491.4634 -1359.1248 -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 21994.9043 20013.1598 5733.2541 193.8023 -336093.2680 21826.9296 0.0000 0.0000 43905.3721 -222425.8458 159.7157 -266331.2179 -222091.3306 159.7157 -3843.4683 -2758.0339 921491.4634 -3843.4683 -2758.0339
ENERGY: 253 19499.8638 19667.1122 5729.5496 195.2411 -334977.1810 21784.0537 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3606 -222082.7207 165.5893 -3300.1273 -2735.8133 921491.4634 -3300.1273 -2735.8133
ENERGY: 254 19073.0882 19348.2297 5720.5008 195.9622 -333839.8801 21752.6524 0.0000 0.0000 45220.9195 -222528.5273 164.5013 -267749.4468 -222080.4687 164.5013 -2707.1336 -2696.1702 921491.4634 -2707.1336 -2696.1702
ENERGY: 255 20324.2312 19109.4104 5707.6062 196.0621 -333099.9236 21746.1515 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4622 -222078.3977 158.8501 -2282.5424 -2662.7815 921491.4634 -2282.5424 -2662.7815
ENERGY: 256 20899.4410 18950.9580 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1611 -222297.2437 157.0812 -265478.4049 -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 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0667 5673.2911 193.6684 -334373.1546 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.853, 0.470545/step Wall: 123.853, 0.470545/step, 0.0313697 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9545 19188.2463 5675.1875 191.0393 -336169.7731 21924.7893 0.0000 0.0000 44083.4305 -222362.1257 160.3634 -266445.5562 -222069.6813 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2725 19814.6777 5694.0656 188.7122 -336291.7860 21947.6073 0.0000 0.0000 44601.6345 -222438.8161 162.2485 -267040.4506 -222052.4324 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0574 -222051.1548 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2261 20436.4305 5710.6950 187.5052 -334855.9508 21907.7772 0.0000 0.0000 44751.4781 -222476.8387 162.7936 -267228.3169 -222069.1982 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6628 21906.0163 0.0000 0.0000 43607.6372 -222352.1120 158.6326 -265959.7491 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4573 21914.4804 0.0000 0.0000 43399.3795 -222348.1911 157.8750 -265747.5706 -222054.3633 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4852 21930.8373 0.0000 0.0000 44220.2168 -222446.1645 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7514 5700.1930 187.9286 -335513.7447 21959.1257 0.0000 0.0000 44823.5376 -222504.2923 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
ENERGY: 269 21396.7814 19927.1701 5694.0390 187.7639 -336221.0660 21997.2160 0.0000 0.0000 44586.5098 -222431.5857 162.1935 -267018.0955 -222066.1972 162.1935 -3401.4129 -2647.2949 921491.4634 -3401.4129 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1935 19450.9166 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2811 -222067.0433 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
ENERGY: 271 22345.5825 19078.8065 5690.0209 186.1610 -336571.7892 22035.2500 0.0000 0.0000 44829.4472 -222406.5211 163.0772 -267235.9683 -222066.8385 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0662 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9082 5697.5118 183.8526 -334925.7013 21985.5295 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7510 5701.2546 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5272 -222412.2137 160.1637 -266440.7408 -222072.9392 160.1637 -1580.1299 -2417.6041 921491.4634 -1580.1299 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3452 21997.2386 0.0000 0.0000 44632.8112 -222481.8214 162.3619 -267114.6326 -222061.0984 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1001 22041.3358 0.0000 0.0000 44532.2541 -222463.7058 161.9961 -266995.9599 -222063.4127 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3651 19593.9431 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0880 -222376.7276 159.9693 -266351.8156 -222065.2020 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.257, 0.470224/step Wall: 133.257, 0.470224/step, 0.0287359 hours remaining, 3224.238281 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 20943.7900 19615.5378 5669.9796 186.8360 -336942.5037 22176.7654 0.0000 0.0000 45823.3370 -222526.2578 166.6927 -268349.5948 -222063.3317 166.6927 -2992.3274 -2779.3670 921491.4634 -2992.3274 -2779.3670
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ENERGY: 286 19396.6309 20966.5620 5721.5031 185.8229 -334658.1146 22176.6863 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9093 -222054.0581 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1190 20856.7821 5731.9346 184.4714 -334918.1478 22200.2910 0.0000 0.0000 44282.9438 -222485.6058 161.0892 -266768.5496 -222055.7252 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2850 5736.9557 182.7335 -335468.3148 22237.9037 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.532
LDB: Largest compute 200 load 0.518077 is 1.1% of average load 45.708269
LDB: Average compute 0.064022 is 0.1% of average load 45.708269
LDB: TIME 148.534 LOAD: AVG 45.7083 MAX 47.0963 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 148.535 LOAD: AVG 45.7083 MAX 47.0963 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 148.55 LOAD: AVG 45.7083 MAX 46.2285 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 148.552
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.553
Info: Initial time: 4 CPUs 0.470632 s/step 5.44713 days/ns 3224.44 MB memory
TIMING: 300 CPU: 142.673, 0.470804/step Wall: 142.673, 0.470804/step, 0.0261558 hours remaining, 3224.437500 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: 151.9, 0.461343/step Wall: 151.9, 0.461343/step, 0.0230671 hours remaining, 3224.437500 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: 161.124, 0.461191/step Wall: 161.124, 0.461191/step, 0.0204974 hours remaining, 3224.437500 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: 170.34, 0.460788/step Wall: 170.34, 0.460788/step, 0.0179195 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 364 19323.8976 19612.6013 5699.8913 181.0103 -336175.2000 22790.5193 0.0000 0.0000 46034.3490 -222532.9311 167.4603 -268567.2801 -222068.5917 167.4603 -1420.0424 -2476.3757 921491.4634 -1420.0424 -2476.3757
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ENERGY: 368 20561.5938 19748.2123 5739.6691 179.8275 -335728.0880 22808.6652 0.0000 0.0000 44272.8407 -222417.2795 161.0524 -266690.1202 -222068.2914 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4608 20251.1590 5706.5521 182.3248 -335763.5799 22794.3772 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7059 -222041.4014 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8101 20495.6591 5711.4639 183.2952 -336584.2276 22821.5835 0.0000 0.0000 44474.7537 -222423.6622 161.7869 -266898.4159 -222044.3968 161.7869 -2972.9873 -2523.3499 921491.4634 -2972.9873 -2523.3499
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TIMING: 380 CPU: 179.551, 0.460566/step Wall: 179.551, 0.460566/step, 0.0153522 hours remaining, 3224.437500 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 19625.4114 19596.0353 5710.5349 179.0647 -336052.0487 22884.2532 0.0000 0.0000 45539.1834 -222517.5657 165.6590 -268056.7491 -222062.0925 165.6590 -569.2378 -2166.9358 921491.4634 -569.2378 -2166.9358
ENERGY: 385 19327.8181 19356.8913 5707.7751 177.4354 -335210.6402 22871.6141 0.0000 0.0000 45299.7171 -222469.3889 164.7879 -267769.1060 -222051.0992 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2273 19220.9467 5707.6637 175.9384 -334865.1819 22880.7955 0.0000 0.0000 44519.8586 -222378.7515 161.9510 -266898.6101 -222051.0437 161.9510 122.6671 -2011.2428 921491.4634 122.6671 -2011.2428
ENERGY: 387 20367.2860 19202.4848 5710.9354 174.6759 -335109.8728 22905.2741 0.0000 0.0000 44377.1816 -222372.0349 161.4320 -266749.2165 -222053.0049 161.4320 -738.9584 -2019.1689 921491.4634 -738.9584 -2019.1689
ENERGY: 388 20282.3988 19280.0171 5717.2934 173.7038 -335824.1524 22938.2898 0.0000 0.0000 44972.7761 -222459.6733 163.5986 -267432.4494 -222067.4820 163.5986 -2063.8555 -2076.2823 921491.4634 -2063.8555 -2076.2823
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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: 398 19692.8117 20133.3590 5716.9814 176.0456 -336812.3382 23014.0584 0.0000 0.0000 45592.7324 -222486.3498 165.8538 -268079.0822 -222045.7224 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.645
LDB: Largest compute 230 load 0.530888 is 1.2% of average load 45.710623
LDB: Average compute 0.064014 is 0.1% of average load 45.710623
LDB: TIME 194.648 LOAD: AVG 45.7106 MAX 46.0916 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 194.648 LOAD: AVG 45.7106 MAX 46.0916 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 194.649 LOAD: AVG 45.7106 MAX 46.0916 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 194.649
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.65
Info: Benchmark time: 4 CPUs 0.460854 s/step 5.33395 days/ns 3224.44 MB memory
TIMING: 400 CPU: 188.764, 0.460662/step Wall: 188.764, 0.460662/step, 0.0127962 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0481 19835.9107 5715.8942 173.8391 -338107.6291 23109.6377 0.0000 0.0000 44436.8101 -222391.4892 161.6489 -266828.2992 -222049.2228 161.6489 -4939.3796 -2681.7025 921491.4634 -4939.3796 -2681.7025
ENERGY: 403 20784.9696 19778.4828 5715.7218 174.2695 -337239.9787 23077.8401 0.0000 0.0000 45225.5964 -222483.0986 164.5183 -267708.6950 -222046.6856 164.5183 -3613.5979 -2605.7428 921491.4634 -3613.5979 -2605.7428
ENERGY: 404 19687.5954 19735.4029 5713.8113 175.5084 -336169.1141 23038.2899 0.0000 0.0000 45313.8394 -222504.6668 164.8393 -267818.5062 -222060.2370 164.8393 -1967.0746 -2494.0438 921491.4634 -1967.0746 -2494.0438
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ENERGY: 408 19735.8471 19387.6646 5692.2151 187.5226 -335902.8221 23017.8172 0.0000 0.0000 45394.4121 -222487.3433 165.1324 -267881.7554 -222063.5313 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1189 19376.4609 5688.4775 191.1593 -336896.6849 23057.9921 0.0000 0.0000 45733.6059 -222498.8705 166.3663 -268232.4764 -222051.6706 166.3663 -2367.4920 -2346.9325 921491.4634 -2367.4920 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5212 19470.1803 5687.6649 194.4179 -337813.1847 23106.2027 0.0000 0.0000 45077.0716 -222427.1262 163.9780 -267504.1978 -222054.6429 163.9780 -3838.6212 -2402.0240 921491.4634 -3838.6212 -2402.0240
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ENERGY: 413 21130.1419 20138.5247 5699.9334 199.7191 -337872.5316 23125.1113 0.0000 0.0000 45113.2142 -222465.8870 164.1095 -267579.1012 -222055.3454 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
ENERGY: 414 19987.3857 20381.5504 5705.1135 199.5118 -337122.7793 23094.4555 0.0000 0.0000 45271.6527 -222483.1098 164.6858 -267754.7625 -222052.1624 164.6858 -2501.3242 -2333.9464 921491.4634 -2501.3242 -2333.9464
ENERGY: 415 19745.2666 20572.1257 5708.7452 198.1487 -336456.1967 23071.1988 0.0000 0.0000 44733.2273 -222427.4845 162.7272 -267160.7118 -222049.0347 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3169 20661.9893 5710.0857 195.6953 -336157.5852 23063.1711 0.0000 0.0000 44200.2849 -222384.0420 160.7885 -266584.3269 -222052.9643 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3750 20631.3207 5709.0494 192.4696 -336373.1066 23072.1095 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7825 -222044.6992 161.2911 -112.4553 -2227.1700 921491.4634 -112.4553 -2227.1700
ENERGY: 418 20154.6649 20457.0907 5705.5847 188.6536 -336970.7859 23098.6722 0.0000 0.0000 44915.1420 -222450.9777 163.3889 -267366.1197 -222046.7091 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7632 20185.5522 5700.4810 184.6055 -337717.8749 23139.8019 0.0000 0.0000 45250.3099 -222466.3612 164.6082 -267716.6711 -222049.5948 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.944, 0.458989/step Wall: 197.944, 0.458988/step, 0.0101997 hours remaining, 3224.437500 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 21418.8987 19324.4275 5689.6736 172.2145 -337416.8951 23180.6036 0.0000 0.0000 45183.9708 -222447.1062 164.3669 -267631.0771 -222051.5232 164.3669 -3955.8307 -2434.9305 921491.4634 -3955.8307 -2434.9305
ENERGY: 424 20531.3310 19270.7818 5692.6542 170.6563 -336406.2759 23140.4642 0.0000 0.0000 45151.0454 -222449.3430 164.2471 -267600.3883 -222060.4126 164.2471 -3030.1609 -2370.2033 921491.4634 -3030.1609 -2370.2033
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ENERGY: 426 19603.3346 19432.3072 5702.4947 169.0990 -335270.6871 23080.2889 0.0000 0.0000 44862.7382 -222420.4245 163.1983 -267283.1627 -222049.1088 163.1983 -1125.8050 -2237.7215 921491.4634 -1125.8050 -2237.7215
ENERGY: 427 19598.5317 19595.2901 5707.1504 168.7509 -335498.4314 23074.5003 0.0000 0.0000 44915.2771 -222438.9309 163.3894 -267354.2080 -222048.7337 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4229 19760.4172 5710.4628 168.5259 -336199.9849 23087.7674 0.0000 0.0000 44884.2591 -222448.1296 163.2766 -267332.3887 -222058.0549 163.2766 -935.5732 -2206.9585 921491.4634 -935.5732 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3738 5712.1700 168.1897 -338096.9202 23149.4490 0.0000 0.0000 44626.3098 -222402.4406 162.3382 -267028.7504 -222047.3915 162.3382 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
ENERGY: 431 22204.1023 20111.4152 5711.2600 168.0704 -338644.7641 23172.3802 0.0000 0.0000 44858.4628 -222419.0732 163.1828 -267277.5360 -222048.7169 163.1828 -3116.2806 -2293.5591 921491.4634 -3116.2806 -2293.5591
ENERGY: 432 21768.3706 20188.6723 5710.3547 168.1086 -338651.2097 23176.0843 0.0000 0.0000 45177.9907 -222461.6284 164.3451 -267639.6191 -222065.9057 164.3451 -3350.2743 -2296.1497 921491.4634 -3350.2743 -2296.1497
ENERGY: 433 21200.9074 20275.9662 5710.3763 168.4633 -338164.0633 23162.2908 0.0000 0.0000 45192.9282 -222453.1310 164.3995 -267646.0592 -222052.5981 164.3995 -3187.3733 -2272.1276 921491.4634 -3187.3733 -2272.1276
ENERGY: 434 20730.3413 20338.1498 5711.6061 169.3247 -337394.2699 23140.7733 0.0000 0.0000 44883.0997 -222420.9750 163.2724 -267304.0747 -222051.1461 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6550 23123.4095 0.0000 0.0000 44675.9840 -222398.7943 162.5190 -267074.7783 -222049.5887 162.5190 -2061.3581 -2179.8950 921491.4634 -2061.3581 -2179.8950
ENERGY: 436 19670.9242 20349.9980 5717.2345 173.0864 -336303.8810 23119.9076 0.0000 0.0000 44847.0985 -222425.6318 163.1414 -267272.7302 -222059.6960 163.1414 -1520.6597 -2145.1617 921491.4634 -1520.6597 -2145.1617
ENERGY: 437 19434.5517 20329.5091 5720.9893 175.9827 -336411.9784 23136.3866 0.0000 0.0000 45159.2688 -222455.2901 164.2770 -267614.5590 -222050.7503 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1534 20278.6095 5724.6883 179.3848 -336899.4579 23173.5518 0.0000 0.0000 45148.1326 -222459.9374 164.2365 -267608.0700 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.122, 0.458892/step Wall: 207.122, 0.458892/step, 0.00764821 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5685 20036.2373 5729.7527 186.7201 -338123.1814 23276.2485 0.0000 0.0000 44417.5463 -222405.1080 161.5788 -266822.6543 -222059.4774 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5489 19860.0411 5730.3488 190.1145 -338361.1724 23313.2044 0.0000 0.0000 44502.6967 -222409.2180 161.8886 -266911.9147 -222050.0861 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6121 19664.5352 5729.4854 192.9411 -338090.1542 23327.1567 0.0000 0.0000 44880.6321 -222441.7915 163.2634 -267322.4236 -222049.7756 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3318 19487.0726 5727.6164 194.9329 -337369.3158 23320.0157 0.0000 0.0000 45118.1108 -222457.2355 164.1273 -267575.3464 -222048.5997 164.1273 -2448.1650 -2220.3532 921491.4634 -2448.1650 -2220.3532
ENERGY: 444 20449.3363 19357.2693 5725.4095 195.8735 -336464.1928 23301.5275 0.0000 0.0000 44987.7179 -222447.0589 163.6530 -267434.7767 -222057.9798 163.6530 -2090.2100 -2206.4400 921491.4634 -2090.2100 -2206.4400
ENERGY: 445 20125.5608 19307.2520 5723.6513 195.6942 -335759.3919 23283.8137 0.0000 0.0000 44708.7156 -222414.7042 162.6380 -267123.4198 -222046.5429 162.6380 -1846.9626 -2201.6927 921491.4634 -1846.9626 -2201.6927
ENERGY: 446 19947.6806 19324.9007 5722.5430 194.3235 -335494.5712 23276.0449 0.0000 0.0000 44620.2946 -222408.7839 162.3164 -267029.0785 -222046.1621 162.3164 -1800.7518 -2216.7295 921491.4634 -1800.7518 -2216.7295
ENERGY: 447 19914.2851 19416.0210 5722.2107 191.8641 -335769.4403 23282.7456 0.0000 0.0000 44816.5088 -222425.8050 163.0301 -267242.3138 -222046.8343 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5924 19583.6799 5722.5764 188.5554 -336503.1802 23303.8902 0.0000 0.0000 45065.6674 -222451.2184 163.9365 -267516.8858 -222059.3480 163.9365 -2372.1879 -2303.7899 921491.4634 -2372.1879 -2303.7899
ENERGY: 449 20877.4061 19832.6984 5723.5712 184.8596 -337500.9072 23334.5921 0.0000 0.0000 45101.1679 -222446.6119 164.0657 -267547.7797 -222047.7099 164.0657 -2827.1082 -2356.1408 921491.4634 -2827.1082 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1297 5724.4776 181.0897 -338419.3249 23364.6241 0.0000 0.0000 44854.3097 -222432.2086 163.1677 -267286.5183 -222048.7860 163.1677 -3116.6757 -2394.3896 921491.4634 -3116.6757 -2394.3896
ENERGY: 451 22355.5904 20357.7252 5724.7144 177.6517 -338952.0907 23381.8006 0.0000 0.0000 44542.6985 -222411.9100 162.0341 -266954.6085 -222048.8245 162.0341 -3074.2534 -2405.7798 921491.4634 -3074.2534 -2405.7798
ENERGY: 452 22246.2017 20536.0131 5723.8953 174.8859 -338927.1537 23378.0942 0.0000 0.0000 44452.9194 -222415.1441 161.7075 -266868.0634 -222059.6372 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8727 20641.1308 5722.2878 173.1350 -338392.7933 23354.5906 0.0000 0.0000 44683.7032 -222418.0731 162.5470 -267101.7763 -222043.5372 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3380 20654.1371 5720.2217 172.3637 -337567.1414 23320.6901 0.0000 0.0000 45008.1465 -222443.2443 163.7273 -267451.3908 -222041.8392 163.7273 -1453.4580 -2293.1452 921491.4634 -1453.4580 -2293.1452
ENERGY: 455 19486.7906 20584.7118 5718.4844 172.5169 -336790.6453 23290.4023 0.0000 0.0000 45086.5788 -222451.1604 164.0126 -267537.7392 -222040.8571 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3722 20440.6798 5717.7556 173.4248 -336350.1076 23274.9632 0.0000 0.0000 44811.4724 -222438.4395 163.0118 -267249.9120 -222055.3486 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4931 20251.9433 5718.5580 174.9241 -336395.8167 23277.8276 0.0000 0.0000 44521.8704 -222403.2002 161.9583 -266925.0706 -222049.4132 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8436 20019.2722 5720.7061 176.6081 -336835.0963 23294.7174 0.0000 0.0000 44632.7889 -222405.1599 162.3618 -267037.9488 -222051.2822 162.3618 -2684.6988 -2301.0427 921491.4634 -2684.6988 -2301.0427
ENERGY: 459 20903.4946 19784.9690 5724.0022 178.1985 -337468.1649 23318.6985 0.0000 0.0000 45113.9369 -222444.8652 164.1121 -267558.8022 -222053.1411 164.1121 -3350.5832 -2341.5796 921491.4634 -3350.5832 -2341.5796
TIMING: 460 CPU: 216.286, 0.45819/step Wall: 216.286, 0.45819/step, 0.005091 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6140 19597.9065 5728.0972 179.4910 -338014.3775 23341.8004 0.0000 0.0000 45423.8567 -222480.6118 165.2395 -267904.4685 -222064.6837 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2258 19487.8113 5736.4823 180.9531 -337988.7179 23351.1089 0.0000 0.0000 44559.9289 -222408.2076 162.0968 -266968.1365 -222056.7215 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1793 19513.9020 5738.9361 181.1160 -337284.1037 23326.9481 0.0000 0.0000 44313.4569 -222388.5654 161.2002 -266702.0222 -222054.6244 161.2002 -2012.4425 -2264.0778 921491.4634 -2012.4425 -2264.0778
ENERGY: 464 20535.2459 19559.9276 5739.2519 181.0096 -336389.3846 23291.1946 0.0000 0.0000 44654.0266 -222428.7284 162.4391 -267082.7550 -222058.5728 162.4391 -1050.9225 -2205.5267 921491.4634 -1050.9225 -2205.5267
ENERGY: 465 19322.7826 19631.8858 5737.2899 180.7155 -335701.1539 23259.7396 0.0000 0.0000 45094.5687 -222474.1719 164.0416 -267568.7406 -222052.9387 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7731 23245.0609 0.0000 0.0000 45020.7906 -222467.6205 163.7733 -267488.4111 -222052.9784 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8072 19783.1744 5727.6704 179.7757 -335721.0955 23249.4535 0.0000 0.0000 44523.6662 -222415.5481 161.9649 -266939.2144 -222054.3494 161.9649 -1393.6027 -2232.5922 921491.4634 -1393.6027 -2232.5922
ENERGY: 468 20761.8483 19845.4942 5721.5090 179.2779 -336451.5673 23265.8131 0.0000 0.0000 44291.6584 -222385.9665 161.1209 -266677.6249 -222056.3593 161.1209 -2508.6714 -2314.1340 921491.4634 -2508.6714 -2314.1340
ENERGY: 469 21236.3016 19910.2020 5715.6824 178.8504 -337458.3209 23284.3967 0.0000 0.0000 44720.3203 -222412.5675 162.6802 -267132.8878 -222046.0752 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8932 5710.9491 178.5947 -338383.2514 23297.0678 0.0000 0.0000 45346.4575 -222466.1159 164.9579 -267812.5734 -222047.6091 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8680 20054.6832 5707.9626 178.5890 -338913.2459 23297.5091 0.0000 0.0000 45471.3366 -222470.2973 165.4122 -267941.6339 -222047.5361 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2365 20161.5547 5707.0091 178.9047 -338870.6771 23279.4498 0.0000 0.0000 45028.5296 -222433.9928 163.8014 -267462.5224 -222059.5057 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1365 20289.3422 5707.9843 179.6165 -338307.7196 23240.7370 0.0000 0.0000 44634.5174 -222389.3858 162.3681 -267023.9032 -222043.8538 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9705 20372.0982 5710.2161 180.7467 -337438.4558 23189.2355 0.0000 0.0000 44733.2310 -222409.9580 162.7272 -267143.1890 -222041.2618 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2081 20371.7670 5712.9876 182.2512 -336604.2320 23142.3824 0.0000 0.0000 45070.2143 -222450.4215 163.9531 -267520.6358 -222039.4529 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7864 20282.0271 5715.7683 184.0125 -336100.0913 23115.8473 0.0000 0.0000 45106.0637 -222460.5860 164.0835 -267566.6497 -222053.6137 164.0835 -92.4048 -2183.0651 921491.4634 -92.4048 -2183.0651
ENERGY: 477 19704.7252 20145.9811 5718.4976 185.9230 -336101.8801 23114.2946 0.0000 0.0000 44812.3212 -222420.1374 163.0149 -267232.4586 -222044.8411 163.0149 -667.4945 -2171.8227 921491.4634 -667.4945 -2171.8227
ENERGY: 478 20493.4778 19974.7637 5721.0254 187.7262 -336537.4050 23131.2466 0.0000 0.0000 44627.0338 -222402.1314 162.3409 -267029.1653 -222047.4106 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3058 19793.3956 5723.3295 189.2099 -337215.5854 23156.6778 0.0000 0.0000 44802.1585 -222425.5083 162.9779 -267227.6667 -222050.5460 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 225.447, 0.458062/step Wall: 225.447, 0.458062/step, 0.00254479 hours remaining, 3224.437500 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 21624.0329 19623.1967 5725.3111 190.1901 -337854.6802 23181.5124 0.0000 0.0000 45051.6820 -222458.7551 163.8856 -267510.4371 -222064.6210 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4858 19510.0437 5727.0952 190.6351 -338199.2498 23196.7964 0.0000 0.0000 45041.3372 -222440.8563 163.8480 -267482.1935 -222052.5266 163.8480 -4466.2395 -2305.6733 921491.4634 -4466.2395 -2305.6733
ENERGY: 482 22186.3472 19466.6800 5728.4964 190.3598 -338044.5435 23192.7479 0.0000 0.0000 44865.8522 -222414.0601 163.2096 -267279.9123 -222051.4113 163.2096 -4059.3099 -2278.0615 921491.4634 -4059.3099 -2278.0615
ENERGY: 483 21553.1416 19511.5751 5729.5660 189.3227 -337426.2201 23165.8745 0.0000 0.0000 44861.8972 -222414.8430 163.1953 -267276.7402 -222048.7672 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8926 19631.1945 5730.2465 187.5455 -336590.8895 23126.1355 0.0000 0.0000 45003.6034 -222451.2714 163.7107 -267454.8748 -222059.8739 163.7107 -1565.2424 -2143.1850 921491.4634 -1565.2424 -2143.1850
ENERGY: 485 19688.7722 19800.2997 5730.5256 185.2458 -335902.5874 23092.8474 0.0000 0.0000 44955.5725 -222449.3243 163.5360 -267404.8967 -222045.9603 163.5360 -422.1569 -2086.8736 921491.4634 -422.1569 -2086.8736
ENERGY: 486 19602.5430 19954.8180 5729.7197 182.4662 -335612.3572 23080.3811 0.0000 0.0000 44645.9114 -222416.5178 162.4096 -267062.4292 -222044.6757 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0927 20072.0215 5727.4347 179.4360 -335846.4483 23091.0547 0.0000 0.0000 44503.3490 -222392.0596 161.8910 -266895.4086 -222045.2404 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2098 20156.1362 5723.5441 176.4338 -336552.5451 23118.8619 0.0000 0.0000 44827.0554 -222425.3039 163.0685 -267252.3593 -222057.1937 163.0685 -1145.7534 -2194.6679 921491.4634 -1145.7534 -2194.6679
ENERGY: 489 20526.8870 20236.4607 5718.5748 173.8639 -337540.4651 23156.7313 0.0000 0.0000 45266.1002 -222461.8471 164.6656 -267727.9474 -222045.6084 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
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 20292.9019 5712.8912 171.8438 -338458.1354 23196.4880 0.0000 0.0000 45213.5625 -222459.6992 164.4745 -267673.2617 -222048.2206 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4642 20312.1357 5707.3795 170.5404 -338984.5785 23226.0939 0.0000 0.0000 44733.0083 -222404.9566 162.7264 -267137.9649 -222049.4636 162.7264 -4629.6934 -2524.6214 921491.4634 -4629.6934 -2524.6214
ENERGY: 492 22612.9549 20289.6807 5702.9944 170.0207 -338937.5807 23232.7207 0.0000 0.0000 44542.1944 -222387.0149 162.0323 -266929.2093 -222060.3859 162.0323 -4606.8523 -2557.4729 921491.4634 -4606.8523 -2557.4729
ENERGY: 493 21558.2188 20260.7371 5700.7779 170.3200 -338358.0625 23214.0538 0.0000 0.0000 45033.8224 -222420.1324 163.8207 -267453.9549 -222046.5899 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3365 20225.0259 5700.9806 171.2193 -337454.3827 23183.0797 0.0000 0.0000 45622.2470 -222483.4938 165.9612 -268105.7408 -222044.0866 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2464 20186.8300 5703.5926 172.5416 -336566.9880 23159.4626 0.0000 0.0000 45484.1224 -222477.1923 165.4587 -267961.3148 -222041.5562 165.4587 -1249.6836 -2407.3055 921491.4634 -1249.6836 -2407.3055
ENERGY: 496 19722.4837 20130.6473 5708.0350 174.0933 -335998.7147 23154.2637 0.0000 0.0000 44699.5263 -222409.6655 162.6046 -267109.1918 -222049.0665 162.6046 -478.8995 -2343.4748 921491.4634 -478.8995 -2343.4748
ENERGY: 497 20212.6670 20059.9177 5713.4613 175.7242 -335952.5036 23166.3547 0.0000 0.0000 44261.0281 -222363.3506 161.0095 -266624.3787 -222042.7496 161.0095 -421.0230 -2316.7926 921491.4634 -421.0230 -2316.7926
ENERGY: 498 20182.0164 19957.1217 5718.5596 177.2604 -336366.4929 23189.3587 0.0000 0.0000 44728.2531 -222413.9229 162.7091 -267142.1760 -222044.5215 162.7091 -993.4677 -2331.6470 921491.4634 -993.4677 -2331.6470
ENERGY: 499 20158.0676 19847.7311 5722.4089 178.6361 -337058.4821 23219.2405 0.0000 0.0000 45439.2643 -222493.1335 165.2956 -267932.3978 -222047.2058 165.2956 -2020.8686 -2376.3388 921491.4634 -2020.8686 -2376.3388
Info: Benchmark time: 4 CPUs 0.4577 s/step 5.29746 days/ns 3224.44 MB memory
TIMING: 500 CPU: 234.535, 0.454388/step Wall: 234.535, 0.454388/step, 0 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8936 19756.6588 5724.4523 179.8271 -337741.4196 23251.1010 0.0000 0.0000 45359.0776 -222495.4092 165.0039 -267854.4868 -222061.0910 165.0039 -3197.5168 -2425.4141 921491.4634 -3197.5168 -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, 3229.891 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.891 MB of memory in use
====================================================
WallClock: 241.310059 CPUTime: 241.310059 Memory: 3229.890625 MB
[Partition 0][Node 0] End of program
Application 109884124 resources: utime ~948s, stime ~19s, Rss ~127172, inblocks ~67010, outblocks ~72240
Displaying status file:
verified
WALL=241.310059
CPU=241.310059
MEM=3229.890625
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins7966820068589229200.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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