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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 ============== 51.2348
LDB: Largest compute 200 load 0.430379 is 1.2% of average load 36.780653
LDB: Average compute 0.051544 is 0.1% of average load 36.780653
LDB: Partitioning computes with target load 3.678065
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055435
LDB: ============== END OF LOAD BALANCING =============== 51.237
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 51.2379
Info: Initial time: 4 CPUs 0.474667 s/step 5.49383 days/ns 3219.27 MB memory
TIMING: 100 CPU: 48.4338, 0.473643/step Wall: 48.4338, 0.473643/step, 0.052627 hours remaining, 3219.269531 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 ============== 60.695
LDB: ============== END OF LOAD BALANCING =============== 60.695
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 60.6955
TIMING: 120 CPU: 57.8905, 0.472832/step Wall: 57.8905, 0.472832/step, 0.04991 hours remaining, 3219.445312 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 21553.6088 18898.7762 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9666 163.0106 -267284.1163 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 132 21696.5183 20951.9799 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1267 -222437.0589 155.4477 -265169.1856 -222222.8145 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7487 21006.3294 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3959 -222211.0694 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0297 18330.1124 5724.2506 192.4679 -333575.3362 21115.6332 0.0000 0.0000 43705.6788 -222391.1636 158.9892 -266096.8424 -222217.3489 158.9892 -4443.4109 -3015.1528 921491.4634 -4443.4109 -3015.1528
TIMING: 140 CPU: 67.3362, 0.472284/step Wall: 67.3362, 0.472284/step, 0.0472284 hours remaining, 3219.644531 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 20992.5977 17997.1576 5722.1741 192.2140 -333726.9440 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7629 -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
ENERGY: 150 21015.8993 19956.3837 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5897 -222515.5245 162.2665 -267122.1142 -222153.2666 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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TIMING: 160 CPU: 76.774, 0.471891/step Wall: 76.774, 0.471891/step, 0.0445675 hours remaining, 3219.808594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7901 18733.9558 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1544 -222314.9826 156.7902 -265416.1370 -222126.1323 156.7902 -2936.2258 -2665.7683 921491.4634 -2936.2258 -2665.7683
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TIMING: 180 CPU: 86.1993, 0.471267/step Wall: 86.1993, 0.471267/step, 0.0418904 hours remaining, 3219.949219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0406 19234.9572 5686.4352 181.9571 -332240.0941 21043.7459 0.0000 0.0000 44391.5886 -222435.3694 161.4844 -266826.9580 -222129.2890 161.4844 -2596.4734 -2731.4264 921491.4634 -2596.4734 -2731.4264
ENERGY: 187 22073.2968 19471.4304 5678.7398 184.6336 -333156.1131 21076.9265 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8538 -2802.0867 921491.4634 -3641.8538 -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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LDB: ============= START OF LOAD BALANCING ============== 98.4301
LDB: Largest compute 200 load 0.425730 is 1.2% of average load 36.598288
LDB: Average compute 0.051285 is 0.1% of average load 36.598288
LDB: TIME 98.4321 LOAD: AVG 36.5983 MAX 37.7345 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3220.29 MB
LDB: TIME 98.4341 LOAD: AVG 36.5983 MAX 37.5181 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3220.29 MB
LDB: ============== END OF LOAD BALANCING =============== 98.436
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 98.4391
Info: Initial time: 4 CPUs 0.471867 s/step 5.46142 days/ns 3221.53 MB memory
TIMING: 200 CPU: 95.6303, 0.471551/step Wall: 95.6303, 0.471551/step, 0.0392959 hours remaining, 3221.527344 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: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8620 -222093.6428 160.2771 -1046.8256 -2512.4435 921491.4634 -1046.8256 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9812 165.9875 -268258.4530 -222116.7004 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
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ENERGY: 208 20293.2703 20371.8904 5718.1572 182.8654 -334789.2381 21322.2410 0.0000 0.0000 44428.6269 -222472.1869 161.6191 -266900.8138 -222122.6318 161.6191 -3669.0644 -2719.7953 921491.4634 -3669.0644 -2719.7953
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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: 210 21385.1734 20194.2569 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4334 -222516.0286 164.6123 -267767.4619 -222108.2020 164.6123 -6091.3663 -2896.2628 921491.4634 -6091.3663 -2896.2628
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8929 21415.1477 0.0000 0.0000 43031.7284 -222254.1132 156.5376 -265285.8416 -222106.8545 156.5376 -5900.2977 -2885.1011 921491.4634 -5900.2977 -2885.1011
ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6223 21412.5983 0.0000 0.0000 42995.1637 -222249.7026 156.4046 -265244.8663 -222104.2319 156.4046 -4424.1000 -2820.3210 921491.4634 -4424.1000 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6440 21380.5552 0.0000 0.0000 45418.7804 -222504.4447 165.2210 -267923.2251 -222097.3835 165.2210 -2174.3116 -2725.0841 921491.4634 -2174.3116 -2725.0841
ENERGY: 214 17315.5528 19421.7447 5733.3059 176.6827 -333645.3933 21358.4486 0.0000 0.0000 46958.4701 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9742 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5060 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3319 154.3930 -264690.5105 -222073.6157 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3868 19581.4819 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6749 -222225.0683 152.7251 -264208.7432 -222064.4465 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6835 -222478.5361 160.7099 -266657.2197 -222068.8156 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0708 21596.8809 0.0000 0.0000 45751.9297 -222644.4008 166.4329 -268396.3305 -222073.1720 166.4329 -4457.7332 -2810.5236 921491.4634 -4457.7332 -2810.5236
TIMING: 220 CPU: 105.041, 0.470532/step Wall: 105.041, 0.470532/step, 0.0365969 hours remaining, 3221.527344 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: 220 21580.9143 19260.1136 5743.1672 189.1021 -335473.8430 21655.3184 0.0000 0.0000 44539.5739 -222505.6535 162.0227 -267045.2274 -222092.6289 162.0227 -5898.3510 -2876.6576 921491.4634 -5898.3510 -2876.6576
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ENERGY: 223 20286.4335 19110.8427 5708.3528 191.5579 -334633.3912 21665.5243 0.0000 0.0000 45168.7532 -222501.9270 164.3115 -267670.6801 -222072.2457 164.3115 -3322.8074 -2753.9474 921491.4634 -3322.8074 -2753.9474
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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: 230 21999.2454 20926.2538 5717.1889 185.9786 -336838.6564 21834.6451 0.0000 0.0000 43751.0551 -222424.2894 159.1543 -266175.3445 -222088.6909 159.1543 -4902.3779 -2766.0557 921491.4634 -4902.3779 -2766.0557
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ENERGY: 233 20035.6403 19318.2042 5703.4910 182.6157 -334889.2829 21760.7376 0.0000 0.0000 45350.0987 -222538.4953 164.9712 -267888.5941 -222089.6822 164.9712 -3899.2115 -2646.7386 921491.4634 -3899.2115 -2646.7386
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ENERGY: 236 20566.0778 18629.0999 5714.2865 178.3391 -332585.8845 21721.5012 0.0000 0.0000 43477.4013 -222299.1786 158.1588 -265776.5799 -222073.0118 158.1588 -108.6483 -2371.7043 921491.4634 -108.6483 -2371.7043
ENERGY: 237 20196.0059 18940.2030 5726.8243 176.7459 -333068.3184 21749.0157 0.0000 0.0000 43898.3779 -222381.1458 159.6902 -266279.5237 -222063.3604 159.6902 -172.1589 -2373.2011 921491.4634 -172.1589 -2373.2011
ENERGY: 238 19419.4413 19404.0883 5740.6977 175.0128 -333964.3150 21778.9043 0.0000 0.0000 44901.2437 -222544.9269 163.3384 -267446.1705 -222065.9777 163.3384 -987.6014 -2425.5309 921491.4634 -987.6014 -2425.5309
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TIMING: 240 CPU: 114.444, 0.47015/step Wall: 114.444, 0.47015/step, 0.0339553 hours remaining, 3221.527344 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 22861.0419 20119.9135 5760.6909 171.4213 -335766.3623 21854.4253 0.0000 0.0000 42641.4775 -222357.3919 155.1180 -264998.8694 -222074.0952 155.1180 -3844.9084 -2568.3896 921491.4634 -3844.9084 -2568.3896
ENERGY: 241 23920.0052 20195.4874 5762.7124 169.9828 -336129.3249 21865.1032 0.0000 0.0000 41957.8934 -222258.1406 152.6313 -264216.0340 -222063.9158 152.6313 -4724.4490 -2616.3453 921491.4634 -4724.4490 -2616.3453
ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8718 -222396.7195 158.3388 -265923.5913 -222063.5735 158.3388 -4623.1687 -2633.0913 921491.4634 -4623.1687 -2633.0913
ENERGY: 243 19462.3618 19969.6447 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0689 -222575.9245 165.6513 -268112.9934 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2462 19849.3936 5737.4544 169.6534 -334482.6010 21720.5676 0.0000 0.0000 45629.1663 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
ENERGY: 245 20148.2368 19811.7600 5725.7784 171.4559 -334087.5947 21701.2470 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1166 -222068.6366 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5482 19853.7025 5716.8932 174.1558 -334213.1207 21705.0850 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7931 -2523.3912 921491.4634 -1173.7931 -2523.3912
ENERGY: 247 19868.5287 19979.6440 5712.7400 177.5412 -334802.1844 21719.8454 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -983.0002 -2552.5931 921491.4634 -983.0002 -2552.5931
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1354 21746.4310 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3127 168.0117 -1359.1248 -2608.3066 921491.4634 -1359.1248 -2608.3066
ENERGY: 249 20484.3304 20353.6193 5719.1623 185.0800 -336433.0067 21788.9033 0.0000 0.0000 45370.8153 -222531.0960 165.0466 -267901.9113 -222082.9712 165.0466 -2308.0287 -2671.2386 921491.4634 -2308.0287 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2056 20422.5256 5726.1009 188.5682 -336907.4409 21832.9289 0.0000 0.0000 43252.1660 -222329.9458 157.3395 -265582.1117 -222084.2879 157.3395 -3365.2095 -2722.3879 921491.4634 -3365.2095 -2722.3879
ENERGY: 251 24002.1398 20302.5995 5731.6573 191.5295 -336816.8447 21849.8673 0.0000 0.0000 42475.2392 -222263.8121 154.5132 -264739.0513 -222084.8990 154.5132 -3958.0338 -2753.0723 921491.4634 -3958.0338 -2753.0723
ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2676 21826.9295 0.0000 0.0000 43905.3721 -222425.8458 159.7157 -266331.2179 -222091.3307 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8635 19667.1121 5729.5496 195.2411 -334977.1806 21784.0536 0.0000 0.0000 45520.0194 -222581.3413 165.5893 -268101.3607 -222082.7207 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
ENERGY: 254 19073.0880 19348.2295 5720.5008 195.9622 -333839.8798 21752.6524 0.0000 0.0000 45220.9197 -222528.5273 164.5013 -267749.4470 -222080.4688 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0621 -333099.9234 21746.1515 0.0000 0.0000 43667.4213 -222349.0412 158.8501 -266016.4625 -222078.3977 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4411 18950.9577 5693.4518 195.6570 -332975.5973 21757.6847 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0040 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1545 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
ENERGY: 259 20717.7707 18984.1030 5671.3007 192.3773 -335369.5278 21871.0066 0.0000 0.0000 45431.1555 -222501.8139 165.2661 -267932.9694 -222063.7307 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.836, 0.469581/step Wall: 123.836, 0.469581/step, 0.0313054 hours remaining, 3221.832031 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 22744.9542 19188.2463 5675.1875 191.0393 -336169.7729 21924.7893 0.0000 0.0000 44083.4304 -222362.1257 160.3634 -266445.5562 -222069.6814 160.3634 -3407.4793 -2810.9878 921491.4634 -3407.4793 -2810.9878
ENERGY: 261 23215.5572 19485.4656 5683.6413 189.7700 -336523.9799 21953.3902 0.0000 0.0000 43676.0232 -222320.1324 158.8814 -265996.1556 -222052.8237 158.8814 -3555.3693 -2822.8648 921491.4634 -3555.3693 -2822.8648
ENERGY: 262 21606.2722 19814.6778 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6345 -222438.8161 162.2485 -267040.4506 -222052.4324 162.2485 -3214.7559 -2810.4637 921491.4634 -3214.7559 -2810.4637
ENERGY: 263 19781.1226 20140.5623 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8113 -2773.3903 921491.4634 -2647.8113 -2773.3903
ENERGY: 264 19385.2258 20436.4306 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6632 21906.0163 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7900 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3795 -222348.1913 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7242 -2664.5956 921491.4634 -2130.7242 -2664.5956
ENERGY: 267 19648.0906 20691.2678 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9160 20375.7515 5700.1930 187.9286 -335513.7449 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
ENERGY: 269 21396.7812 19927.1702 5694.0390 187.7639 -336221.0661 21997.2161 0.0000 0.0000 44586.5098 -222431.5858 162.1935 -267018.0956 -222066.1973 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 22620.1932 19450.9167 5690.3173 187.1618 -336650.6773 22028.8071 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7890 22035.2501 0.0000 0.0000 44829.4471 -222406.5211 163.0772 -267235.9683 -222066.8386 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9682 -2501.8805 921491.4634 -2551.9682 -2501.8805
ENERGY: 273 20123.2134 18932.9080 5697.5118 183.8526 -334925.7011 21985.5296 0.0000 0.0000 45502.7161 -222499.9695 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7415 19121.4862 5701.6806 183.0070 -333931.6257 21965.2977 0.0000 0.0000 44478.5176 -222406.8952 161.8006 -266885.4128 -222066.8028 161.8006 -1366.5212 -2384.6634 921491.4634 -1366.5212 -2384.6634
ENERGY: 275 20005.4317 19374.0680 5703.3424 182.5376 -333318.5604 21960.8299 0.0000 0.0000 43741.9683 -222350.3824 159.1213 -266092.3507 -222065.7692 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1283 21971.0410 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1301 -2417.6040 921491.4634 -1580.1301 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8112 -222481.8217 162.3619 -267114.6330 -222061.0988 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1005 22041.3359 0.0000 0.0000 44532.2541 -222463.7061 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
ENERGY: 279 21984.3649 19593.9431 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0880 -222376.7279 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.221, 0.469257/step Wall: 133.221, 0.469257/step, 0.0286768 hours remaining, 3221.832031 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: 280 22859.3230 19458.4367 5670.0026 185.3899 -336752.6633 22145.1354 0.0000 0.0000 44066.7338 -222367.6419 160.3027 -266434.3757 -222073.4247 160.3027 -4286.3893 -2748.0546 921491.4634 -4286.3893 -2748.0546
ENERGY: 281 22172.5957 19445.1183 5667.0588 186.2206 -337154.6802 22172.1192 0.0000 0.0000 45063.2422 -222448.3253 163.9277 -267511.5675 -222064.8519 163.9277 -3881.2950 -2782.5902 921491.4634 -3881.2950 -2782.5902
ENERGY: 282 20943.7896 19615.5379 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3369 -222526.2578 166.6927 -268349.5947 -222063.3316 166.6927 -2992.3269 -2779.3668 921491.4634 -2992.3269 -2779.3668
ENERGY: 283 20432.1058 19966.6614 5678.8137 187.1634 -336251.9199 22171.0648 0.0000 0.0000 45328.8519 -222487.2587 164.8939 -267816.1107 -222060.8460 164.8939 -2008.7734 -2748.2306 921491.4634 -2008.7734 -2748.2306
ENERGY: 284 20506.3997 20401.8821 5692.0830 187.1346 -335412.6296 22166.2910 0.0000 0.0000 44071.4479 -222387.3913 160.3198 -266458.8392 -222061.5539 160.3198 -1267.2790 -2712.3901 921491.4634 -1267.2790 -2712.3901
ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2629 -222354.5544 157.9437 -265772.8172 -222053.5965 157.9437 -1010.8437 -2700.0819 921491.4634 -1010.8437 -2700.0819
ENERGY: 286 19396.6310 20966.5621 5721.5031 185.8229 -334658.1146 22176.6863 0.0000 0.0000 43785.6880 -222425.2211 159.2803 -266210.9091 -222054.0581 159.2803 -1306.7503 -2717.2846 921491.4634 -1306.7503 -2717.2846
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1477 22200.2910 0.0000 0.0000 44282.9436 -222485.6058 161.0892 -266768.5494 -222055.7252 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3147 22237.9037 0.0000 0.0000 44116.9903 -222455.2376 160.4855 -266572.2279 -222066.9053 160.4855 -3310.5881 -2790.1554 921491.4634 -3310.5881 -2790.1554
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9121 22279.0690 0.0000 0.0000 43733.4511 -222382.2642 159.0903 -266115.7153 -222062.2724 159.0903 -4368.9816 -2809.8750 921491.4634 -4368.9816 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5266 5730.3279 178.6973 -336571.4572 22308.2175 0.0000 0.0000 44027.4232 -222385.2803 160.1597 -266412.7035 -222063.4684 160.1597 -4815.3287 -2796.0390 921491.4634 -4815.3287 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 145.43
LDB: Largest compute 200 load 0.518415 is 1.1% of average load 45.727642
LDB: Average compute 0.064077 is 0.1% of average load 45.727642
LDB: TIME 145.432 LOAD: AVG 45.7276 MAX 46.991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.03 MB
LDB: TIME 145.433 LOAD: AVG 45.7276 MAX 46.991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3222.03 MB
LDB: TIME 145.449 LOAD: AVG 45.7276 MAX 46.2505 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.03 MB
LDB: ============== END OF LOAD BALANCING =============== 145.45
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 145.451
Info: Initial time: 4 CPUs 0.4696 s/step 5.43519 days/ns 3222.03 MB memory
TIMING: 300 CPU: 142.612, 0.469543/step Wall: 142.612, 0.469543/step, 0.0260857 hours remaining, 3222.031250 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: 302 21723.0646 20395.7908 5720.2599 184.8676 -337483.0153 22416.9292 0.0000 0.0000 44599.2671 -222442.8362 162.2399 -267042.1033 -222057.3401 162.2399 -3958.8648 -2554.2736 921491.4634 -3958.8648 -2554.2736
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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: 151.829, 0.460869/step Wall: 151.829, 0.460869/step, 0.0230435 hours remaining, 3222.031250 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: 323 21976.7003 21085.8079 5695.4506 181.8003 -337194.0742 22550.8102 0.0000 0.0000 43361.4904 -222342.0146 157.7372 -265703.5050 -222061.4465 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
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ENERGY: 325 19096.1752 20584.7376 5683.7433 184.8442 -335297.0512 22494.0542 0.0000 0.0000 44763.3955 -222490.1013 162.8369 -267253.4967 -222060.9515 162.8369 -1264.0246 -2529.6546 921491.4634 -1264.0246 -2529.6546
ENERGY: 326 18959.6361 20052.8003 5675.9627 186.2078 -334820.0104 22490.4167 0.0000 0.0000 44971.8223 -222483.1645 163.5951 -267454.9868 -222059.6111 163.5951 -572.2143 -2503.0559 921491.4634 -572.2143 -2503.0559
ENERGY: 327 20020.7820 19506.2794 5669.7116 187.2139 -334851.2531 22513.0144 0.0000 0.0000 44550.7426 -222403.5092 162.0634 -266954.2518 -222059.8763 162.0634 -657.4993 -2506.5014 921491.4634 -657.4993 -2506.5014
ENERGY: 328 20934.1978 19092.0092 5666.7484 187.7399 -335303.4711 22549.7451 0.0000 0.0000 44493.2357 -222379.7950 161.8542 -266873.0306 -222061.7261 161.8542 -1393.2039 -2547.3519 921491.4634 -1393.2039 -2547.3519
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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: 337 20420.1633 19649.7061 5693.3319 179.7347 -334824.3557 22536.4221 0.0000 0.0000 43995.5998 -222349.3978 160.0439 -266344.9976 -222040.1027 160.0439 -1064.7184 -2460.5860 921491.4634 -1064.7184 -2460.5860
ENERGY: 338 21007.5745 19722.4642 5687.5590 179.5437 -335808.8619 22564.1942 0.0000 0.0000 44285.9172 -222361.6090 161.1000 -266647.5262 -222041.5960 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.043, 0.460726/step Wall: 161.043, 0.460726/step, 0.0204767 hours remaining, 3222.031250 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: 170.251, 0.460364/step Wall: 170.251, 0.460364/step, 0.0179031 hours remaining, 3222.031250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4609 20251.1592 5706.5522 182.3248 -335763.5799 22794.3770 0.0000 0.0000 43848.2756 -222334.4302 159.5080 -266182.7059 -222041.4012 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2276 22821.5833 0.0000 0.0000 44474.7539 -222423.6621 161.7869 -266898.4160 -222044.3967 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.453, 0.46011/step Wall: 179.453, 0.46011/step, 0.015337 hours remaining, 3222.031250 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: 387 20367.2861 19202.4845 5710.9355 174.6759 -335109.8726 22905.2740 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0050 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
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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 ============== 191.501
LDB: Largest compute 230 load 0.524568 is 1.1% of average load 45.623771
LDB: Average compute 0.063913 is 0.1% of average load 45.623771
LDB: TIME 191.503 LOAD: AVG 45.6238 MAX 46.0501 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.03 MB
LDB: TIME 191.504 LOAD: AVG 45.6238 MAX 46.0501 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.03 MB
LDB: TIME 191.504 LOAD: AVG 45.6238 MAX 46.0501 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3222.03 MB
LDB: ============== END OF LOAD BALANCING =============== 191.504
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 191.505
Info: Benchmark time: 4 CPUs 0.460446 s/step 5.32923 days/ns 3222.03 MB memory
TIMING: 400 CPU: 188.66, 0.460363/step Wall: 188.66, 0.460363/step, 0.0127878 hours remaining, 3222.031250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 416 19942.3169 20661.9897 5710.0857 195.6954 -336157.5867 23063.1719 0.0000 0.0000 44200.2848 -222384.0422 160.7885 -266584.3270 -222052.9645 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
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ENERGY: 418 20154.6649 20457.0910 5705.5848 188.6536 -336970.7875 23098.6730 0.0000 0.0000 44915.1422 -222450.9779 163.3889 -267366.1202 -222046.7094 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
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TIMING: 420 CPU: 197.839, 0.458937/step Wall: 197.839, 0.458937/step, 0.0101986 hours remaining, 3222.031250 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: 426 19603.3348 19432.3071 5702.4947 169.0990 -335270.6887 23080.2893 0.0000 0.0000 44862.7391 -222420.4246 163.1983 -267283.1637 -222049.1089 163.1983 -1125.8051 -2237.7214 921491.4634 -1125.8051 -2237.7214
ENERGY: 427 19598.5318 19595.2899 5707.1505 168.7509 -335498.4331 23074.5007 0.0000 0.0000 44915.2783 -222438.9310 163.3894 -267354.2093 -222048.7338 163.3894 -741.9010 -2207.6354 921491.4634 -741.9010 -2207.6354
ENERGY: 428 20140.4230 19760.4171 5710.4629 168.5259 -336199.9865 23087.7678 0.0000 0.0000 44884.2602 -222448.1297 163.2766 -267332.3899 -222058.0550 163.2766 -935.5733 -2206.9584 921491.4634 -935.5733 -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 22013.9872 20024.3738 5712.1700 168.1897 -338096.9214 23149.4493 0.0000 0.0000 44626.3106 -222402.4407 162.3383 -267028.7513 -222047.3916 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
ENERGY: 431 22204.1019 20111.4154 5711.2601 168.0704 -338644.7652 23172.3804 0.0000 0.0000 44858.4637 -222419.0733 163.1828 -267277.5369 -222048.7170 163.1828 -3116.2804 -2293.5591 921491.4634 -3116.2804 -2293.5591
ENERGY: 432 21768.3702 20188.6725 5710.3547 168.1086 -338651.2108 23176.0846 0.0000 0.0000 45177.9916 -222461.6287 164.3451 -267639.6203 -222065.9060 164.3451 -3350.2740 -2296.1497 921491.4634 -3350.2740 -2296.1497
ENERGY: 433 21200.9071 20275.9665 5710.3764 168.4633 -338164.0645 23162.2910 0.0000 0.0000 45192.9289 -222453.1313 164.3995 -267646.0602 -222052.5984 164.3995 -3187.3732 -2272.1276 921491.4634 -3187.3732 -2272.1276
ENERGY: 434 20730.3412 20338.1500 5711.6062 169.3247 -337394.2712 23140.7736 0.0000 0.0000 44883.1002 -222420.9754 163.2724 -267304.0756 -222051.1464 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2201 20362.4015 5714.0004 170.8455 -336680.6564 23123.4098 0.0000 0.0000 44675.9845 -222398.7946 162.5190 -267074.7791 -222049.5891 162.5190 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9243 20349.9981 5717.2346 173.0864 -336303.8821 23119.9079 0.0000 0.0000 44847.0989 -222425.6318 163.1414 -267272.7307 -222059.6960 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
ENERGY: 437 19434.5517 20329.5091 5720.9894 175.9827 -336411.9793 23136.3869 0.0000 0.0000 45159.2693 -222455.2902 164.2770 -267614.5595 -222050.7504 164.2770 -1319.1169 -2134.4847 921491.4634 -1319.1169 -2134.4847
ENERGY: 438 19935.1533 20278.6094 5724.6884 179.3849 -336899.4584 23173.5521 0.0000 0.0000 45148.1329 -222459.9375 164.2365 -267608.0703 -222051.5669 164.2365 -1493.0941 -2145.0880 921491.4634 -1493.0941 -2145.0880
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TIMING: 440 CPU: 207.015, 0.458804/step Wall: 207.015, 0.458804/step, 0.00764673 hours remaining, 3222.031250 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 22071.5682 20036.2371 5729.7527 186.7202 -338123.1811 23276.2488 0.0000 0.0000 44417.5462 -222405.1080 161.5788 -266822.6541 -222059.4773 161.5788 -2408.4611 -2197.9670 921491.4634 -2408.4611 -2197.9670
ENERGY: 441 22355.5484 19860.0410 5730.3488 190.1146 -338361.1719 23313.2047 0.0000 0.0000 44502.6965 -222409.2179 161.8886 -266911.9145 -222050.0860 161.8886 -2716.1025 -2221.5312 921491.4634 -2716.1025 -2221.5312
ENERGY: 442 21853.6116 19664.5350 5729.4855 192.9412 -338090.1536 23327.1570 0.0000 0.0000 44880.6319 -222441.7914 163.2634 -267322.4233 -222049.7756 163.2634 -2710.5573 -2229.0695 921491.4634 -2710.5573 -2229.0695
ENERGY: 443 21064.3314 19487.0724 5727.6165 194.9329 -337369.3153 23320.0160 0.0000 0.0000 45118.1106 -222457.2355 164.1273 -267575.3460 -222048.5996 164.1273 -2448.1646 -2220.3529 921491.4634 -2448.1646 -2220.3529
ENERGY: 444 20449.3362 19357.2691 5725.4095 195.8735 -336464.1929 23301.5279 0.0000 0.0000 44987.7175 -222447.0592 163.6530 -267434.7767 -222057.9801 163.6530 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5608 19307.2518 5723.6513 195.6942 -335759.3921 23283.8142 0.0000 0.0000 44708.7153 -222414.7045 162.6380 -267123.4198 -222046.5432 162.6380 -1846.9626 -2201.6925 921491.4634 -1846.9626 -2201.6925
ENERGY: 446 19947.6805 19324.9005 5722.5430 194.3235 -335494.5716 23276.0454 0.0000 0.0000 44620.2944 -222408.7843 162.3164 -267029.0787 -222046.1624 162.3164 -1800.7519 -2216.7293 921491.4634 -1800.7519 -2216.7293
ENERGY: 447 19914.2849 19416.0209 5722.2107 191.8641 -335769.4407 23282.7461 0.0000 0.0000 44816.5086 -222425.8054 163.0301 -267242.3140 -222046.8346 163.0301 -1993.3113 -2253.0602 921491.4634 -1993.3113 -2253.0602
ENERGY: 448 20187.5922 19583.6798 5722.5765 188.5554 -336503.1805 23303.8908 0.0000 0.0000 45065.6672 -222451.2186 163.9365 -267516.8858 -222059.3482 163.9365 -2372.1878 -2303.7897 921491.4634 -2372.1878 -2303.7897
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1299 5724.4776 181.0897 -338419.3250 23364.6246 0.0000 0.0000 44854.3091 -222432.2088 163.1676 -267286.5179 -222048.7862 163.1676 -3116.6754 -2394.3894 921491.4634 -3116.6754 -2394.3894
ENERGY: 451 22355.5899 20357.7255 5724.7144 177.6517 -338952.0907 23381.8011 0.0000 0.0000 44542.6980 -222411.9102 162.0341 -266954.6082 -222048.8247 162.0341 -3074.2530 -2405.7796 921491.4634 -3074.2530 -2405.7796
ENERGY: 452 22246.2011 20536.0135 5723.8953 174.8859 -338927.1535 23378.0947 0.0000 0.0000 44452.9189 -222415.1440 161.7075 -266868.0630 -222059.6371 161.7075 -2659.9602 -2384.7566 921491.4634 -2659.9602 -2384.7566
ENERGY: 453 21399.8723 20641.1312 5722.2879 173.1350 -338392.7932 23354.5911 0.0000 0.0000 44683.7027 -222418.0731 162.5470 -267101.7757 -222043.5372 162.5470 -2048.3336 -2342.4666 921491.4634 -2048.3336 -2342.4666
ENERGY: 454 20248.3379 20654.1375 5720.2218 172.3637 -337567.1414 23320.6905 0.0000 0.0000 45008.1459 -222443.2442 163.7273 -267451.3901 -222041.8392 163.7273 -1453.4577 -2293.1449 921491.4634 -1453.4577 -2293.1449
ENERGY: 455 19486.7905 20584.7122 5718.4844 172.5169 -336790.6454 23290.4027 0.0000 0.0000 45086.5783 -222451.1604 164.0126 -267537.7387 -222040.8571 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3721 20440.6802 5717.7556 173.4248 -336350.1079 23274.9635 0.0000 0.0000 44811.4721 -222438.4395 163.0118 -267249.9117 -222055.3486 163.0118 -1305.5004 -2245.5822 921491.4634 -1305.5004 -2245.5822
ENERGY: 457 20047.4930 20251.9436 5718.5580 174.9241 -336395.8170 23277.8278 0.0000 0.0000 44521.8702 -222403.2003 161.9583 -266925.0705 -222049.4133 161.9583 -1906.4166 -2263.5012 921491.4634 -1906.4166 -2263.5012
ENERGY: 458 20585.8436 20019.2724 5720.7061 176.6081 -336835.0964 23294.7176 0.0000 0.0000 44632.7887 -222405.1599 162.3618 -267037.9486 -222051.2822 162.3618 -2684.6988 -2301.0426 921491.4634 -2684.6988 -2301.0426
ENERGY: 459 20903.4946 19784.9691 5724.0022 178.1985 -337468.1647 23318.6985 0.0000 0.0000 45113.9367 -222444.8653 164.1121 -267558.8020 -222053.1411 164.1121 -3350.5831 -2341.5795 921491.4634 -3350.5831 -2341.5795
TIMING: 460 CPU: 216.187, 0.458601/step Wall: 216.187, 0.458601/step, 0.00509557 hours remaining, 3222.031250 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 21262.6138 19597.9065 5728.0972 179.4910 -338014.3770 23341.8003 0.0000 0.0000 45423.8566 -222480.6116 165.2395 -267904.4683 -222064.6836 165.2395 -3669.8202 -2365.2412 921491.4634 -3669.8202 -2365.2412
ENERGY: 461 21862.8760 19507.1077 5732.5753 180.4333 -338251.6217 23355.3936 0.0000 0.0000 45154.6140 -222458.6219 164.2601 -267613.2359 -222058.0507 164.2601 -3556.1665 -2361.1799 921491.4634 -3556.1665 -2361.1799
ENERGY: 462 22264.2253 19487.8110 5736.4823 180.9531 -337988.7170 23351.1086 0.0000 0.0000 44559.9293 -222408.2074 162.0968 -266968.1367 -222056.7214 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1789 19513.9017 5738.9361 181.1160 -337284.1029 23326.9477 0.0000 0.0000 44313.4573 -222388.5652 161.2002 -266702.0225 -222054.6242 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2459 19559.9273 5739.2519 181.0096 -336389.3845 23291.1941 0.0000 0.0000 44654.0270 -222428.7288 162.4391 -267082.7558 -222058.5732 162.4391 -1050.9228 -2205.5270 921491.4634 -1050.9228 -2205.5270
ENERGY: 465 19322.7826 19631.8854 5737.2899 180.7155 -335701.1539 23259.7390 0.0000 0.0000 45094.5692 -222474.1723 164.0416 -267568.7415 -222052.9391 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4511 19708.3581 5733.2107 180.2808 -335443.7732 23245.0602 0.0000 0.0000 45020.7913 -222467.6210 163.7733 -267488.4123 -222052.9789 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8071 19783.1742 5727.6704 179.7757 -335721.0958 23249.4527 0.0000 0.0000 44523.6671 -222415.5486 161.9649 -266939.2157 -222054.3498 161.9649 -1393.6033 -2232.5926 921491.4634 -1393.6033 -2232.5926
ENERGY: 468 20761.8484 19845.4942 5721.5090 179.2779 -336451.5669 23265.8122 0.0000 0.0000 44291.6591 -222385.9663 161.1209 -266677.6253 -222056.3591 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3017 19910.2022 5715.6824 178.8504 -337458.3204 23284.3957 0.0000 0.0000 44720.3208 -222412.5672 162.6802 -267132.8880 -222046.0750 162.6802 -3596.7408 -2405.7974 921491.4634 -3596.7408 -2405.7974
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 19972.8935 5710.9492 178.5947 -338383.2509 23297.0668 0.0000 0.0000 45346.4580 -222466.1156 164.9580 -267812.5736 -222047.6089 164.9580 -4259.6997 -2477.6833 921491.4634 -4259.6997 -2477.6833
ENERGY: 471 21732.8676 20054.6836 5707.9627 178.5890 -338913.2452 23297.5080 0.0000 0.0000 45471.3372 -222470.2970 165.4122 -267941.6343 -222047.5359 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2359 20161.5553 5707.0091 178.9047 -338870.6767 23279.4485 0.0000 0.0000 45028.5302 -222433.9930 163.8014 -267462.5231 -222059.5059 163.8014 -3659.7361 -2479.9186 921491.4634 -3659.7361 -2479.9186
ENERGY: 473 21866.1361 20289.3427 5707.9843 179.6165 -338307.7190 23240.7357 0.0000 0.0000 44634.5179 -222389.3859 162.3681 -267023.9038 -222043.8540 162.3681 -2556.3617 -2408.1660 921491.4634 -2556.3617 -2408.1660
ENERGY: 474 20842.9703 20372.0986 5710.2161 180.7466 -337438.4552 23189.2341 0.0000 0.0000 44733.2312 -222409.9582 162.7272 -267143.1894 -222041.2620 162.7272 -1295.5526 -2316.2731 921491.4634 -1295.5526 -2316.2731
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2313 23142.3810 0.0000 0.0000 45070.2144 -222450.4216 163.9531 -267520.6361 -222039.4530 163.9531 -344.6451 -2232.2128 921491.4634 -344.6451 -2232.2128
ENERGY: 476 19235.7862 20282.0273 5715.7683 184.0125 -336100.0902 23115.8459 0.0000 0.0000 45106.0639 -222460.5860 164.0835 -267566.6500 -222053.6137 164.0835 -92.4052 -2183.0655 921491.4634 -92.4052 -2183.0655
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8789 23114.2931 0.0000 0.0000 44812.3214 -222420.1373 163.0149 -267232.4588 -222044.8410 163.0149 -667.4950 -2171.8231 921491.4634 -667.4950 -2171.8231
ENERGY: 478 20493.4778 19974.7637 5721.0254 187.7262 -336537.4035 23131.2452 0.0000 0.0000 44627.0338 -222402.1313 162.3409 -267029.1651 -222047.4106 162.3409 -1807.1609 -2198.7959 921491.4634 -1807.1609 -2198.7959
ENERGY: 479 21125.3060 19793.3956 5723.3295 189.2099 -337215.5836 23156.6763 0.0000 0.0000 44802.1582 -222425.5081 162.9779 -267227.6664 -222050.5459 162.9779 -3089.8520 -2246.7920 921491.4634 -3089.8520 -2246.7920
TIMING: 480 CPU: 225.351, 0.458211/step Wall: 225.351, 0.458211/step, 0.00254562 hours remaining, 3222.031250 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 19623.1965 5725.3111 190.1900 -337854.6787 23181.5109 0.0000 0.0000 45051.6819 -222458.7555 163.8856 -267510.4374 -222064.6215 163.8856 -4077.7332 -2291.4897 921491.4634 -4077.7332 -2291.4897
ENERGY: 481 22092.4853 19510.0434 5727.0953 190.6351 -338199.2481 23196.7950 0.0000 0.0000 45041.3373 -222440.8568 163.8480 -267482.1941 -222052.5271 163.8480 -4466.2398 -2305.6738 921491.4634 -4466.2398 -2305.6738
ENERGY: 482 22186.3465 19466.6796 5728.4964 190.3598 -338044.5417 23192.7465 0.0000 0.0000 44865.8525 -222414.0606 163.2096 -267279.9130 -222051.4118 163.2096 -4059.3102 -2278.0620 921491.4634 -4059.3102 -2278.0620
ENERGY: 483 21553.1411 19511.5747 5729.5660 189.3227 -337426.2184 23165.8731 0.0000 0.0000 44861.8974 -222414.8435 163.1953 -267276.7409 -222048.7677 163.1953 -2964.1726 -2216.4122 921491.4634 -2964.1726 -2216.4122
ENERGY: 484 20460.8924 19631.1941 5730.2465 187.5455 -336590.8881 23126.1341 0.0000 0.0000 45003.6036 -222451.2719 163.7107 -267454.8755 -222059.8744 163.7107 -1565.2428 -2143.1855 921491.4634 -1565.2428 -2143.1855
ENERGY: 485 19688.7719 19800.2993 5730.5256 185.2458 -335902.5864 23092.8460 0.0000 0.0000 44955.5730 -222449.3247 163.5360 -267404.8977 -222045.9607 163.5360 -422.1574 -2086.8741 921491.4634 -422.1574 -2086.8741
ENERGY: 486 19602.5426 19954.8178 5729.7198 182.4662 -335612.3567 23080.3798 0.0000 0.0000 44645.9122 -222416.5183 162.4096 -267062.4305 -222044.6762 162.4096 87.3175 -2070.0987 921491.4634 87.3175 -2070.0987
ENERGY: 487 19881.0926 20072.0216 5727.4348 179.4360 -335846.4483 23091.0534 0.0000 0.0000 44503.3499 -222392.0601 161.8910 -266895.4100 -222045.2409 161.8910 -192.2353 -2106.8846 921491.4634 -192.2353 -2106.8846
ENERGY: 488 20125.2100 20156.1365 5723.5441 176.4338 -336552.5454 23118.8607 0.0000 0.0000 44827.0561 -222425.3042 163.0685 -267252.3603 -222057.1940 163.0685 -1145.7540 -2194.6684 921491.4634 -1145.7540 -2194.6684
ENERGY: 489 20526.8874 20236.4613 5718.5749 173.8639 -337540.4657 23156.7301 0.0000 0.0000 45266.1007 -222461.8475 164.6656 -267727.9482 -222045.6087 164.6656 -2511.2410 -2316.7071 921491.4634 -2511.2410 -2316.7071
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7490 20292.9025 5712.8912 171.8438 -338458.1362 23196.4868 0.0000 0.0000 45213.5632 -222459.6995 164.4745 -267673.2627 -222048.2209 164.4745 -3823.4043 -2437.4159 921491.4634 -3823.4043 -2437.4159
ENERGY: 491 22430.4639 20312.1364 5707.3795 170.5404 -338984.5793 23226.0928 0.0000 0.0000 44733.0093 -222404.9570 162.7264 -267137.9663 -222049.4640 162.7264 -4629.6937 -2524.6219 921491.4634 -4629.6937 -2524.6219
ENERGY: 492 22612.9545 20289.6814 5702.9945 170.0208 -338937.5813 23232.7197 0.0000 0.0000 44542.1953 -222387.0152 162.0323 -266929.2106 -222060.3862 162.0323 -4606.8526 -2557.4733 921491.4634 -4606.8526 -2557.4733
ENERGY: 493 21558.2186 20260.7377 5700.7779 170.3201 -338358.0629 23214.0529 0.0000 0.0000 45033.8231 -222420.1328 163.8207 -267453.9558 -222046.5902 163.8207 -3796.3821 -2540.0999 921491.4634 -3796.3821 -2540.0999
ENERGY: 494 20068.3365 20225.0263 5700.9806 171.2193 -337454.3830 23183.0788 0.0000 0.0000 45622.2474 -222483.4941 165.9612 -268105.7415 -222044.0869 165.9612 -2500.8995 -2482.1071 921491.4634 -2500.8995 -2482.1071
ENERGY: 495 19383.2461 20186.8303 5703.5926 172.5416 -336566.9880 23159.4618 0.0000 0.0000 45484.1229 -222477.1927 165.4587 -267961.3156 -222041.5565 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4832 20130.6474 5708.0351 174.0933 -335998.7149 23154.2629 0.0000 0.0000 44699.5268 -222409.6661 162.6046 -267109.1929 -222049.0671 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5035 23166.3540 0.0000 0.0000 44261.0286 -222363.3512 161.0095 -266624.3797 -222042.7501 161.0095 -421.0234 -2316.7930 921491.4634 -421.0234 -2316.7930
ENERGY: 498 20182.0165 19957.1215 5718.5597 177.2604 -336366.4926 23189.3580 0.0000 0.0000 44728.2530 -222413.9234 162.7091 -267142.1765 -222044.5221 162.7091 -993.4681 -2331.6474 921491.4634 -993.4681 -2331.6474
ENERGY: 499 20158.0679 19847.7308 5722.4090 178.6361 -337058.4817 23219.2400 0.0000 0.0000 45439.2639 -222493.1340 165.2956 -267932.3979 -222047.2063 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.457787 s/step 5.29846 days/ns 3222.03 MB memory
TIMING: 500 CPU: 234.439, 0.454389/step Wall: 234.439, 0.454389/step, 0 hours remaining, 3222.031250 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 19756.6583 5724.4524 179.8271 -337741.4185 23251.1005 0.0000 0.0000 45359.0773 -222495.4093 165.0039 -267854.4866 -222061.0911 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -2425.4142
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, 3227.480 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3227.480 MB of memory in use
====================================================
WallClock: 238.166382 CPUTime: 238.166382 Memory: 3227.480469 MB
[Partition 0][Node 0] End of program
Application 287112 resources: utime ~940s, stime ~14s, Rss ~127000, inblocks ~66494, outblocks ~71264
[SSH] exit-status: 0
[NAMD-Run] $ /bin/sh -xe /tmp/hudson6582001160110017798.sh
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
+ scp [email protected]:/scratch/jenkins/applications/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/workspace/NAMD-Run
NCSA JYC System
Access status: User Access UnRestricted.
Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/wallclock
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/cputime
Saving plot series data from: /var/lib/jenkins/workspace/NAMD-Run/memory
Finished: SUCCESS
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