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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 ============== 54.3123
LDB: Largest compute 200 load 0.435390 is 1.2% of average load 36.875277
LDB: Average compute 0.051661 is 0.1% of average load 36.875277
LDB: Partitioning computes with target load 3.687528
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055569
LDB: ============== END OF LOAD BALANCING =============== 54.3145
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3154
Info: Initial time: 4 CPUs 0.474989 s/step 5.49756 days/ns 3221.51 MB memory
TIMING: 100 CPU: 48.4719, 0.474055/step Wall: 48.4719, 0.474055/step, 0.0526728 hours remaining, 3221.511719 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 ============== 63.7772
LDB: ============== END OF LOAD BALANCING =============== 63.7772
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7777
TIMING: 120 CPU: 57.9327, 0.47304/step Wall: 57.9327, 0.47304/step, 0.049932 hours remaining, 3221.781250 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: 140 CPU: 67.3905, 0.472888/step Wall: 67.3905, 0.472888/step, 0.0472888 hours remaining, 3221.917969 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: 160 CPU: 76.835, 0.472225/step Wall: 76.835, 0.472225/step, 0.044599 hours remaining, 3222.207031 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: 162 22512.8124 18508.1493 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6067 -222342.9107 156.6790 -265413.5173 -222161.4909 156.6790 -5004.1553 -2859.8871 921491.4634 -5004.1553 -2859.8871
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4929 20963.4338 0.0000 0.0000 42492.3350 -222325.8219 154.5754 -264818.1569 -222149.7710 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 21917.7900 18733.9558 5737.6245 154.5770 -332975.2977 21015.2133 0.0000 0.0000 43101.1544 -222314.9828 156.7902 -265416.1371 -222126.1325 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.2676, 0.47163/step Wall: 86.2676, 0.47163/step, 0.0419226 hours remaining, 3222.363281 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 18376.8756 19424.9914 5710.5469 174.1844 -332181.9082 21042.4479 0.0000 0.0000 44880.5526 -222572.3093 163.2631 -267452.8619 -222144.6145 163.2631 -1576.6176 -2645.2273 921491.4634 -1576.6176 -2645.2273
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0939 21043.7460 0.0000 0.0000 44391.5886 -222435.3694 161.4844 -266826.9580 -222129.2891 161.4844 -2596.4733 -2731.4262 921491.4634 -2596.4733 -2731.4262
ENERGY: 187 22073.2968 19471.4302 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0054 -222222.0804 154.4178 -264671.0858 -222130.9083 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -2802.0866
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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 21700.3670 19122.7580 5714.1451 184.7200 -332668.2734 21129.4588 0.0000 0.0000 42574.3653 -222242.4591 154.8738 -264816.8244 -222086.7184 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2862 -222391.0324 159.7372 -266302.3186 -222090.4395 159.7372 -4381.6809 -2646.7679 921491.4634 -4381.6809 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.547
LDB: Largest compute 200 load 0.430322 is 1.2% of average load 36.694783
LDB: Average compute 0.051400 is 0.1% of average load 36.694783
LDB: TIME 101.549 LOAD: AVG 36.6948 MAX 37.7691 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.65 MB
LDB: TIME 101.551 LOAD: AVG 36.6948 MAX 37.656 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.65 MB
LDB: ============== END OF LOAD BALANCING =============== 101.553
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.556
Info: Initial time: 4 CPUs 0.472258 s/step 5.46595 days/ns 3223.38 MB memory
TIMING: 200 CPU: 95.7076, 0.472001/step Wall: 95.7076, 0.472001/step, 0.0393335 hours remaining, 3223.378906 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: 202 23622.8115 18850.8450 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0649 154.3580 -264673.6236 -222096.8293 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6985 -222431.1636 160.2771 -266490.8621 -222093.6429 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4718 -222628.9812 165.9875 -268258.4529 -222116.7004 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
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ENERGY: 207 21693.8032 20338.2889 5726.5434 185.3060 -333603.9791 21289.9002 0.0000 0.0000 42143.6913 -222226.4461 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3479 -2585.9683 921491.4634 -1896.3479 -2585.9683
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6268 -222472.1869 161.6191 -266900.8137 -222122.6317 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2413 21349.5044 0.0000 0.0000 46273.6799 -222642.3819 168.3309 -268916.0618 -222106.7904 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1733 20194.2567 5705.3139 178.4614 -336615.7768 21385.1096 0.0000 0.0000 45251.4334 -222516.0285 164.6123 -267767.4619 -222108.2019 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1926 19985.8631 5704.9373 176.9105 -336667.8927 21415.1477 0.0000 0.0000 43031.7285 -222254.1132 156.5376 -265285.8417 -222106.8545 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2708 19730.8221 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1637 -222249.7030 156.4046 -265244.8667 -222104.2322 156.4046 -4424.1001 -2820.3210 921491.4634 -4424.1001 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7804 -222504.4451 165.2210 -267923.2254 -222097.3839 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4701 -222681.1889 170.8220 -269639.6590 -222093.7411 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3325 21379.5596 0.0000 0.0000 45302.6745 -222527.8921 164.7987 -267830.5666 -222091.0451 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1064 21436.4836 0.0000 0.0000 42442.1787 -222248.3321 154.3930 -264690.5108 -222073.6159 154.3930 420.9900 -2541.5428 921491.4634 420.9900 -2541.5428
ENERGY: 217 21778.3868 19581.4820 5762.2416 182.5517 -333010.6760 21497.2706 0.0000 0.0000 41983.6749 -222225.0685 152.7251 -264208.7434 -222064.4467 152.7251 -882.1700 -2598.7243 921491.4634 -882.1700 -2598.7243
ENERGY: 218 20165.9158 19540.0891 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6834 -222478.5363 160.7099 -266657.2197 -222068.8158 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9296 -222644.4010 166.4329 -268396.3306 -222073.1723 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 105.151, 0.472167/step Wall: 105.151, 0.472167/step, 0.0367241 hours remaining, 3223.378906 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: 114.586, 0.471767/step Wall: 114.586, 0.471767/step, 0.0340721 hours remaining, 3223.378906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8196 21831.0567 0.0000 0.0000 43526.8716 -222396.7199 158.3388 -265923.5915 -222063.5739 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3621 19969.6444 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0687 -222575.9249 165.6513 -268112.9935 -222061.6677 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 246 20878.5481 19853.7023 5716.8932 174.1558 -334213.1204 21705.0850 0.0000 0.0000 43600.4180 -222284.3181 158.6063 -265884.7360 -222067.4298 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8454 0.0000 0.0000 44912.1909 -222431.6939 163.3782 -267343.8848 -222068.1396 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1352 21746.4310 0.0000 0.0000 46185.9359 -222595.6868 168.0117 -268781.6227 -222090.3130 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 260 CPU: 124.014, 0.471385/step Wall: 124.014, 0.471385/step, 0.0314256 hours remaining, 3223.644531 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
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ENERGY: 263 19781.1229 20140.5620 5703.8103 187.9445 -335614.9713 21924.4740 0.0000 0.0000 45349.7769 -222527.2807 164.9700 -267877.0576 -222051.1550 164.9700 -2647.8116 -2773.3903 921491.4634 -2647.8116 -2773.3903
ENERGY: 264 19385.2260 20436.4304 5710.6950 187.5052 -334855.9511 21907.7772 0.0000 0.0000 44751.4782 -222476.8391 162.7936 -267228.3173 -222069.1986 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6373 -222352.1123 158.6326 -265959.7496 -222054.3374 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7898 20788.8699 5712.1327 187.6137 -334399.4575 21914.4805 0.0000 0.0000 43399.3794 -222348.1914 157.8750 -265747.5709 -222054.3637 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4853 21930.8374 0.0000 0.0000 44220.2165 -222446.1648 160.8610 -266666.3814 -222055.6587 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9159 20375.7515 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5375 -222504.2927 163.0557 -267327.8301 -222075.9877 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1931 19450.9168 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0074 -222365.2741 161.1804 -266673.2814 -222067.0437 161.1804 -3583.3633 -2617.7583 921491.4634 -3583.3633 -2617.7583
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ENERGY: 272 21021.5585 18896.0663 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7074 -222503.3111 165.9083 -268111.0184 -222081.1573 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 45502.7159 -222499.9696 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8501 19594.7509 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4576 19713.7759 5686.9122 183.6585 -334821.1002 22041.3358 0.0000 0.0000 44532.2541 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7697 921491.4634 -3254.8156 -2593.7697
ENERGY: 279 21984.3648 19593.9430 5677.5176 184.5187 -335888.5799 22096.4198 0.0000 0.0000 43975.0881 -222376.7279 159.9693 -266351.8161 -222065.2024 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.426, 0.470584/step Wall: 133.426, 0.470584/step, 0.0287579 hours remaining, 3223.644531 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: 280 22859.3229 19458.4366 5670.0026 185.3899 -336752.6634 22145.1353 0.0000 0.0000 44066.7339 -222367.6422 160.3027 -266434.3761 -222073.4250 160.3027 -4286.3895 -2748.0548 921491.4634 -4286.3895 -2748.0548
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ENERGY: 282 20943.7900 19615.5378 5669.9796 186.8360 -336942.5037 22176.7653 0.0000 0.0000 45823.3369 -222526.2581 166.6927 -268349.5950 -222063.3320 166.6927 -2992.3274 -2779.3670 921491.4634 -2992.3274 -2779.3670
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9203 22171.0647 0.0000 0.0000 45328.8520 -222487.2591 164.8939 -267816.1110 -222060.8463 164.8939 -2008.7739 -2748.2308 921491.4634 -2008.7739 -2748.2308
ENERGY: 284 20506.3998 20401.8821 5692.0830 187.1346 -335412.6301 22166.2908 0.0000 0.0000 44071.4481 -222387.3917 160.3198 -266458.8398 -222061.5543 160.3198 -1267.2792 -2712.3902 921491.4634 -1267.2792 -2712.3902
ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1967 22167.0164 0.0000 0.0000 43418.2631 -222354.5547 157.9437 -265772.8178 -222053.5969 157.9437 -1010.8438 -2700.0821 921491.4634 -1010.8438 -2700.0821
ENERGY: 286 19396.6309 20966.5621 5721.5032 185.8230 -334658.1149 22176.6862 0.0000 0.0000 43785.6881 -222425.2215 159.2803 -266210.9096 -222054.0585 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9438 -222485.6061 161.0892 -266768.5499 -222055.7256 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2087 20475.2851 5736.9558 182.7335 -335468.3150 22237.9036 0.0000 0.0000 44116.9905 -222455.2379 160.4855 -266572.2284 -222066.9056 160.4855 -3310.5878 -2790.1554 921491.4634 -3310.5878 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.696
LDB: Largest compute 200 load 0.525109 is 1.1% of average load 45.838568
LDB: Average compute 0.064220 is 0.1% of average load 45.838568
LDB: TIME 148.698 LOAD: AVG 45.8386 MAX 47.1404 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 148.699 LOAD: AVG 45.8386 MAX 47.1404 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 148.715 LOAD: AVG 45.8386 MAX 46.3639 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 148.716
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.718
Info: Initial time: 4 CPUs 0.47114 s/step 5.45301 days/ns 3224.04 MB memory
TIMING: 300 CPU: 142.843, 0.470877/step Wall: 142.843, 0.470877/step, 0.0261598 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 152.087, 0.462193/step Wall: 152.087, 0.462193/step, 0.0231096 hours remaining, 3224.039062 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: 161.328, 0.462024/step Wall: 161.328, 0.462024/step, 0.0205344 hours remaining, 3224.039062 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: 170.557, 0.461466/step Wall: 170.557, 0.461466/step, 0.0179459 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 364 19323.8975 19612.6015 5699.8913 181.0103 -336175.1994 22790.5189 0.0000 0.0000 46034.3488 -222532.9311 167.4603 -268567.2799 -222068.5917 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
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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 20251.1595 5706.5522 182.3248 -335763.5805 22794.3775 0.0000 0.0000 43848.2751 -222334.4304 159.5080 -266182.7056 -222041.4015 159.5080 -1819.5857 -2472.4985 921491.4634 -1819.5857 -2472.4985
ENERGY: 378 20473.8100 20495.6596 5711.4640 183.2952 -336584.2283 22821.5839 0.0000 0.0000 44474.7533 -222423.6623 161.7869 -266898.4156 -222044.3969 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.783, 0.461297/step Wall: 179.783, 0.461297/step, 0.0153766 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4112 19596.0353 5710.5350 179.0647 -336052.0489 22884.2539 0.0000 0.0000 45539.1829 -222517.5660 165.6590 -268056.7489 -222062.0928 165.6590 -569.2377 -2166.9355 921491.4634 -569.2377 -2166.9355
ENERGY: 385 19327.8179 19356.8911 5707.7752 177.4354 -335210.6404 22871.6149 0.0000 0.0000 45299.7166 -222469.3892 164.7879 -267769.1058 -222051.0996 164.7879 215.3517 -2064.3634 921491.4634 215.3517 -2064.3634
ENERGY: 386 19981.2273 19220.9464 5707.6638 175.9384 -334865.1821 22880.7963 0.0000 0.0000 44519.8581 -222378.7518 161.9510 -266898.6099 -222051.0440 161.9510 122.6671 -2011.2425 921491.4634 122.6671 -2011.2425
ENERGY: 387 20367.2860 19202.4843 5710.9355 174.6759 -335109.8730 22905.2750 0.0000 0.0000 44377.1811 -222372.0352 161.4320 -266749.2163 -222053.0053 161.4320 -738.9583 -2019.1686 921491.4634 -738.9583 -2019.1686
ENERGY: 388 20282.3987 19280.0167 5717.2935 173.7038 -335824.1526 22938.2906 0.0000 0.0000 44972.7758 -222459.6736 163.5986 -267432.4494 -222067.4822 163.5986 -2063.8553 -2076.2820 921491.4634 -2063.8553 -2076.2820
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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 19692.8116 20133.3594 5716.9814 176.0456 -336812.3389 23014.0592 0.0000 0.0000 45592.7319 -222486.3498 165.8538 -268079.0818 -222045.7224 165.8538 -1710.2236 -2443.6964 921491.4634 -1710.2236 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.887
LDB: Largest compute 230 load 0.534062 is 1.2% of average load 45.734050
LDB: Average compute 0.064053 is 0.1% of average load 45.734050
LDB: TIME 194.889 LOAD: AVG 45.734 MAX 46.1692 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.04 MB
LDB: TIME 194.889 LOAD: AVG 45.734 MAX 46.1692 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: TIME 194.889 LOAD: AVG 45.734 MAX 46.1692 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.04 MB
LDB: ============== END OF LOAD BALANCING =============== 194.89
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.891
Info: Benchmark time: 4 CPUs 0.461633 s/step 5.34298 days/ns 3224.04 MB memory
TIMING: 400 CPU: 189.011, 0.461388/step Wall: 189.011, 0.461388/step, 0.0128163 hours remaining, 3224.039062 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 22444.0479 19835.9107 5715.8942 173.8391 -338107.6289 23109.6384 0.0000 0.0000 44436.8094 -222391.4892 161.6489 -266828.2985 -222049.2228 161.6489 -4939.3793 -2681.7024 921491.4634 -4939.3793 -2681.7024
ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9785 23077.8408 0.0000 0.0000 45225.5958 -222483.0986 164.5183 -267708.6944 -222046.6856 164.5183 -3613.5977 -2605.7427 921491.4634 -3613.5977 -2605.7427
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ENERGY: 409 20350.1188 19376.4605 5688.4775 191.1593 -336896.6851 23057.9927 0.0000 0.0000 45733.6057 -222498.8706 166.3663 -268232.4764 -222051.6707 166.3663 -2367.4918 -2346.9324 921491.4634 -2367.4918 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 415 19745.2666 20572.1261 5708.7452 198.1487 -336456.1977 23071.1994 0.0000 0.0000 44733.2270 -222427.4847 162.7272 -267160.7117 -222049.0348 162.7272 -1174.6452 -2266.5614 921491.4634 -1174.6452 -2266.5614
ENERGY: 416 19942.3169 20661.9898 5710.0857 195.6953 -336157.5866 23063.1717 0.0000 0.0000 44200.2847 -222384.0425 160.7885 -266584.3272 -222052.9648 160.7885 -282.7613 -2224.6896 921491.4634 -282.7613 -2224.6896
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ENERGY: 418 20154.6647 20457.0909 5705.5847 188.6536 -336970.7869 23098.6727 0.0000 0.0000 44915.1420 -222450.9783 163.3889 -267366.1203 -222046.7097 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7630 20185.5522 5700.4811 184.6054 -337717.8757 23139.8024 0.0000 0.0000 45250.3098 -222466.3618 164.6082 -267716.6715 -222049.5955 164.6082 -1783.9421 -2336.6464 921491.4634 -1783.9421 -2336.6464
TIMING: 420 CPU: 198.208, 0.459896/step Wall: 198.208, 0.459896/step, 0.0102199 hours remaining, 3224.039062 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: 427 19598.5315 19595.2896 5707.1504 168.7509 -335498.4315 23074.5005 0.0000 0.0000 44915.2772 -222438.9314 163.3894 -267354.2085 -222048.7342 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4227 19760.4169 5710.4629 168.5259 -336199.9851 23087.7675 0.0000 0.0000 44884.2593 -222448.1300 163.2766 -267332.3893 -222058.0553 163.2766 -935.5733 -2206.9586 921491.4634 -935.5733 -2206.9586
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3739 5712.1700 168.1897 -338096.9208 23149.4491 0.0000 0.0000 44626.3099 -222402.4409 162.3383 -267028.7508 -222047.3918 162.3383 -2472.2458 -2268.0467 921491.4634 -2472.2458 -2268.0467
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ENERGY: 432 21768.3702 20188.6729 5710.3547 168.1086 -338651.2107 23176.0844 0.0000 0.0000 45177.9910 -222461.6288 164.3451 -267639.6198 -222065.9061 164.3451 -3350.2744 -2296.1499 921491.4634 -3350.2744 -2296.1499
ENERGY: 433 21200.9070 20275.9669 5710.3763 168.4633 -338164.0644 23162.2909 0.0000 0.0000 45192.9284 -222453.1314 164.3995 -267646.0599 -222052.5985 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3411 20338.1505 5711.6061 169.3247 -337394.2711 23140.7733 0.0000 0.0000 44883.0998 -222420.9755 163.2724 -267304.0753 -222051.1466 163.2724 -2694.3109 -2227.7886 921491.4634 -2694.3109 -2227.7886
ENERGY: 435 20235.2200 20362.4020 5714.0003 170.8455 -336680.6561 23123.4095 0.0000 0.0000 44675.9840 -222398.7948 162.5190 -267074.7787 -222049.5892 162.5190 -2061.3583 -2179.8952 921491.4634 -2061.3583 -2179.8952
ENERGY: 436 19670.9242 20349.9986 5717.2346 173.0864 -336303.8817 23119.9076 0.0000 0.0000 44847.0983 -222425.6321 163.1414 -267272.7304 -222059.6963 163.1414 -1520.6600 -2145.1618 921491.4634 -1520.6600 -2145.1618
ENERGY: 437 19434.5516 20329.5095 5720.9894 175.9827 -336411.9788 23136.3866 0.0000 0.0000 45159.2687 -222455.2904 164.2770 -267614.5591 -222050.7506 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1531 20278.6097 5724.6884 179.3848 -336899.4578 23173.5517 0.0000 0.0000 45148.1323 -222459.9377 164.2365 -267608.0700 -222051.5672 164.2365 -1493.0942 -2145.0882 921491.4634 -1493.0942 -2145.0882
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TIMING: 440 CPU: 207.405, 0.459819/step Wall: 207.405, 0.459819/step, 0.00766365 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2369 5729.7527 186.7201 -338123.1800 23276.2484 0.0000 0.0000 44417.5456 -222405.1078 161.5788 -266822.6535 -222059.4772 161.5788 -2408.4612 -2197.9670 921491.4634 -2408.4612 -2197.9670
ENERGY: 441 22355.5485 19860.0405 5730.3488 190.1145 -338361.1706 23313.2043 0.0000 0.0000 44502.6961 -222409.2178 161.8886 -266911.9139 -222050.0859 161.8886 -2716.1026 -2221.5312 921491.4634 -2716.1026 -2221.5312
ENERGY: 442 21853.6116 19664.5344 5729.4854 192.9411 -338090.1522 23327.1566 0.0000 0.0000 44880.6317 -222441.7913 163.2634 -267322.4230 -222049.7755 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3314 19487.0716 5727.6164 194.9329 -337369.3139 23320.0156 0.0000 0.0000 45118.1105 -222457.2354 164.1273 -267575.3459 -222048.5995 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3362 19357.2683 5725.4095 195.8735 -336464.1913 23301.5274 0.0000 0.0000 44987.7175 -222447.0589 163.6530 -267434.7764 -222057.9798 163.6530 -2090.2098 -2206.4398 921491.4634 -2090.2098 -2206.4398
ENERGY: 445 20125.5609 19307.2511 5723.6513 195.6942 -335759.3907 23283.8136 0.0000 0.0000 44708.7154 -222414.7042 162.6380 -267123.4196 -222046.5429 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6806 19324.9001 5722.5430 194.3235 -335494.5704 23276.0448 0.0000 0.0000 44620.2945 -222408.7839 162.3164 -267029.0784 -222046.1621 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2850 19416.0207 5722.2107 191.8641 -335769.4399 23282.7455 0.0000 0.0000 44816.5088 -222425.8050 163.0301 -267242.3139 -222046.8343 163.0301 -1993.3113 -2253.0602 921491.4634 -1993.3113 -2253.0602
ENERGY: 448 20187.5922 19583.6800 5722.5764 188.5554 -336503.1803 23303.8901 0.0000 0.0000 45065.6676 -222451.2186 163.9365 -267516.8862 -222059.3481 163.9365 -2372.1879 -2303.7898 921491.4634 -2372.1879 -2303.7898
ENERGY: 449 20877.4060 19832.6988 5723.5712 184.8596 -337500.9077 23334.5920 0.0000 0.0000 45101.1681 -222446.6120 164.0657 -267547.7801 -222047.7100 164.0657 -2827.1081 -2356.1407 921491.4634 -2827.1081 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1303 5724.4776 181.0897 -338419.3256 23364.6240 0.0000 0.0000 44854.3100 -222432.2087 163.1677 -267286.5187 -222048.7861 163.1677 -3116.6756 -2394.3896 921491.4634 -3116.6756 -2394.3896
ENERGY: 451 22355.5901 20357.7259 5724.7144 177.6517 -338952.0917 23381.8004 0.0000 0.0000 44542.6992 -222411.9101 162.0341 -266954.6093 -222048.8246 162.0341 -3074.2532 -2405.7798 921491.4634 -3074.2532 -2405.7798
ENERGY: 452 22246.2013 20536.0138 5723.8953 174.8859 -338927.1551 23378.0941 0.0000 0.0000 44452.9203 -222415.1444 161.7075 -266868.0647 -222059.6374 161.7075 -2659.9605 -2384.7569 921491.4634 -2659.9605 -2384.7569
ENERGY: 453 21399.8726 20641.1314 5722.2878 173.1350 -338392.7949 23354.5905 0.0000 0.0000 44683.7041 -222418.0735 162.5470 -267101.7776 -222043.5376 162.5470 -2048.3338 -2342.4669 921491.4634 -2048.3338 -2342.4669
ENERGY: 454 20248.3383 20654.1376 5720.2217 172.3637 -337567.1431 23320.6899 0.0000 0.0000 45008.1473 -222443.2446 163.7273 -267451.3919 -222041.8396 163.7273 -1453.4580 -2293.1451 921491.4634 -1453.4580 -2293.1451
ENERGY: 455 19486.7910 20584.7122 5718.4844 172.5169 -336790.6469 23290.4022 0.0000 0.0000 45086.5795 -222451.1608 164.0126 -267537.7402 -222040.8574 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3725 20440.6801 5717.7555 173.4248 -336350.1090 23274.9630 0.0000 0.0000 44811.4731 -222438.4399 163.0118 -267249.9131 -222055.3490 163.0118 -1305.5007 -2245.5824 921491.4634 -1305.5007 -2245.5824
ENERGY: 457 20047.4931 20251.9434 5718.5580 174.9241 -336395.8177 23277.8273 0.0000 0.0000 44521.8711 -222403.2007 161.9583 -266925.0717 -222049.4137 161.9583 -1906.4168 -2263.5014 921491.4634 -1906.4168 -2263.5014
ENERGY: 458 20585.8436 20019.2721 5720.7060 176.6081 -336835.0968 23294.7172 0.0000 0.0000 44632.7894 -222405.1603 162.3618 -267037.9497 -222051.2826 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4947 19784.9687 5724.0021 178.1985 -337468.1649 23318.6983 0.0000 0.0000 45113.9370 -222444.8657 164.1121 -267558.8027 -222053.1415 164.1121 -3350.5833 -2341.5797 921491.4634 -3350.5833 -2341.5797
TIMING: 460 CPU: 216.596, 0.459539/step Wall: 216.596, 0.459539/step, 0.00510599 hours remaining, 3224.039062 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 19597.9060 5728.0971 179.4910 -338014.3769 23341.8001 0.0000 0.0000 45423.8567 -222480.6121 165.2395 -267904.4687 -222064.6840 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
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ENERGY: 462 22264.2254 19487.8103 5736.4822 180.9531 -337988.7168 23351.1086 0.0000 0.0000 44559.9292 -222408.2079 162.0968 -266968.1371 -222056.7219 162.0968 -2954.8199 -2323.4251 921491.4634 -2954.8199 -2323.4251
ENERGY: 463 21821.1789 19513.9009 5738.9361 181.1160 -337284.1026 23326.9478 0.0000 0.0000 44313.4572 -222388.5657 161.2002 -266702.0229 -222054.6247 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2459 19559.9266 5739.2518 181.0096 -336389.3837 23291.1943 0.0000 0.0000 44654.0267 -222428.7289 162.4391 -267082.7556 -222058.5733 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7827 19631.8849 5737.2898 180.7155 -335701.1533 23259.7392 0.0000 0.0000 45094.5687 -222474.1724 164.0416 -267568.7411 -222052.9392 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4511 19708.3578 5733.2107 180.2808 -335443.7727 23245.0605 0.0000 0.0000 45020.7907 -222467.6211 163.7733 -267488.4118 -222052.9790 163.7733 -630.3315 -2182.6710 921491.4634 -630.3315 -2182.6710
ENERGY: 467 19841.8069 19783.1742 5727.6704 179.7757 -335721.0955 23249.4532 0.0000 0.0000 44523.6664 -222415.5487 161.9649 -266939.2151 -222054.3499 161.9649 -1393.6030 -2232.5923 921491.4634 -1393.6030 -2232.5923
ENERGY: 468 20761.8481 19845.4944 5721.5089 179.2779 -336451.5673 23265.8128 0.0000 0.0000 44291.6583 -222385.9668 161.1209 -266677.6252 -222056.3596 161.1209 -2508.6716 -2314.1340 921491.4634 -2508.6716 -2314.1340
ENERGY: 469 21236.3016 19910.2025 5715.6824 178.8504 -337458.3210 23284.3965 0.0000 0.0000 44720.3199 -222412.5678 162.6802 -267132.8877 -222046.0755 162.6802 -3596.7407 -2405.7972 921491.4634 -3596.7407 -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 21411.1730 19972.8939 5710.9491 178.5947 -338383.2517 23297.0676 0.0000 0.0000 45346.4571 -222466.1162 164.9579 -267812.5733 -222047.6094 164.9579 -4259.6995 -2477.6831 921491.4634 -4259.6995 -2477.6831
ENERGY: 471 21732.8676 20054.6840 5707.9626 178.5890 -338913.2462 23297.5089 0.0000 0.0000 45471.3365 -222470.2976 165.4122 -267941.6341 -222047.5364 165.4122 -4290.5682 -2504.3175 921491.4634 -4290.5682 -2504.3175
ENERGY: 472 22081.2357 20161.5556 5707.0091 178.9047 -338870.6777 23279.4496 0.0000 0.0000 45028.5297 -222433.9933 163.8014 -267462.5231 -222059.5062 163.8014 -3659.7358 -2479.9183 921491.4634 -3659.7358 -2479.9183
ENERGY: 473 21866.1359 20289.3430 5707.9843 179.6165 -338307.7202 23240.7369 0.0000 0.0000 44634.5175 -222389.3863 162.3681 -267023.9038 -222043.8544 162.3681 -2556.3613 -2408.1657 921491.4634 -2556.3613 -2408.1657
ENERGY: 474 20842.9703 20372.0989 5710.2160 180.7466 -337438.4565 23189.2354 0.0000 0.0000 44733.2307 -222409.9586 162.7272 -267143.1893 -222041.2624 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2081 20371.7675 5712.9876 182.2512 -336604.2326 23142.3824 0.0000 0.0000 45070.2138 -222450.4220 163.9531 -267520.6359 -222039.4534 163.9531 -344.6448 -2232.2125 921491.4634 -344.6448 -2232.2125
ENERGY: 476 19235.7862 20282.0275 5715.7683 184.0125 -336100.0914 23115.8474 0.0000 0.0000 45106.0633 -222460.5863 164.0835 -267566.6496 -222053.6139 164.0835 -92.4048 -2183.0650 921491.4634 -92.4048 -2183.0650
ENERGY: 477 19704.7249 20145.9813 5718.4976 185.9230 -336101.8799 23114.2947 0.0000 0.0000 44812.3209 -222420.1376 163.0149 -267232.4585 -222044.8412 163.0149 -667.4945 -2171.8226 921491.4634 -667.4945 -2171.8226
ENERGY: 478 20493.4774 19974.7636 5721.0254 187.7262 -336537.4044 23131.2468 0.0000 0.0000 44627.0333 -222402.1316 162.3409 -267029.1649 -222047.4108 162.3409 -1807.1602 -2198.7953 921491.4634 -1807.1602 -2198.7953
ENERGY: 479 21125.3055 19793.3953 5723.3295 189.2099 -337215.5844 23156.6780 0.0000 0.0000 44802.1577 -222425.5084 162.9779 -267227.6661 -222050.5461 162.9779 -3089.8513 -2246.7914 921491.4634 -3089.8513 -2246.7914
TIMING: 480 CPU: 225.784, 0.459404/step Wall: 225.784, 0.459404/step, 0.00255224 hours remaining, 3224.039062 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 21624.0325 19623.1961 5725.3111 190.1901 -337854.6790 23181.5127 0.0000 0.0000 45051.6814 -222458.7553 163.8856 -267510.4366 -222064.6212 163.8856 -4077.7322 -2291.4888 921491.4634 -4077.7322 -2291.4888
ENERGY: 481 22092.4851 19510.0429 5727.0952 190.6351 -338199.2485 23196.7968 0.0000 0.0000 45041.3368 -222440.8565 163.8480 -267482.1934 -222052.5268 163.8480 -4466.2389 -2305.6729 921491.4634 -4466.2389 -2305.6729
ENERGY: 482 22186.3465 19466.6789 5728.4964 190.3598 -338044.5424 23192.7483 0.0000 0.0000 44865.8521 -222414.0603 163.2096 -267279.9124 -222051.4115 163.2096 -4059.3092 -2278.0611 921491.4634 -4059.3092 -2278.0611
ENERGY: 483 21553.1413 19511.5740 5729.5660 189.3227 -337426.2192 23165.8749 0.0000 0.0000 44861.8971 -222414.8432 163.1953 -267276.7404 -222048.7675 163.1953 -2964.1717 -2216.4112 921491.4634 -2964.1717 -2216.4112
ENERGY: 484 20460.8927 19631.1935 5730.2465 187.5455 -336590.8897 23126.1360 0.0000 0.0000 45003.6033 -222451.2722 163.7107 -267454.8755 -222059.8747 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7723 19800.2988 5730.5256 185.2458 -335902.5879 23092.8479 0.0000 0.0000 44955.5725 -222449.3250 163.5360 -267404.8975 -222045.9610 163.5360 -422.1569 -2086.8735 921491.4634 -422.1569 -2086.8735
ENERGY: 486 19602.5428 19954.8174 5729.7198 182.4662 -335612.3581 23080.3816 0.0000 0.0000 44645.9116 -222416.5186 162.4096 -267062.4302 -222044.6765 162.4096 87.3180 -2070.0981 921491.4634 87.3180 -2070.0981
ENERGY: 487 19881.0925 20072.0213 5727.4348 179.4360 -335846.4494 23091.0552 0.0000 0.0000 44503.3493 -222392.0604 161.8910 -266895.4097 -222045.2412 161.8910 -192.2347 -2106.8840 921491.4634 -192.2347 -2106.8840
ENERGY: 488 20125.2096 20156.1363 5723.5441 176.4338 -336552.5463 23118.8623 0.0000 0.0000 44827.0556 -222425.3046 163.0685 -267252.3602 -222057.1943 163.0685 -1145.7533 -2194.6678 921491.4634 -1145.7533 -2194.6678
ENERGY: 489 20526.8869 20236.4611 5718.5749 173.8639 -337540.4665 23156.7317 0.0000 0.0000 45266.1003 -222461.8478 164.6656 -267727.9481 -222045.6090 164.6656 -2511.2403 -2316.7065 921491.4634 -2511.2403 -2316.7065
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7488 20292.9024 5712.8912 171.8438 -338458.1371 23196.4884 0.0000 0.0000 45213.5628 -222459.6998 164.4745 -267673.2626 -222048.2212 164.4745 -3823.4036 -2437.4153 921491.4634 -3823.4036 -2437.4153
ENERGY: 491 22430.4637 20312.1362 5707.3795 170.5404 -338984.5804 23226.0943 0.0000 0.0000 44733.0090 -222404.9573 162.7264 -267137.9663 -222049.4643 162.7264 -4629.6931 -2524.6213 921491.4634 -4629.6931 -2524.6213
ENERGY: 492 22612.9545 20289.6812 5702.9944 170.0207 -338937.5827 23232.7211 0.0000 0.0000 44542.1953 -222387.0154 162.0323 -266929.2107 -222060.3864 162.0323 -4606.8521 -2557.4728 921491.4634 -4606.8521 -2557.4728
ENERGY: 493 21558.2187 20260.7375 5700.7779 170.3200 -338358.0646 23214.0542 0.0000 0.0000 45033.8232 -222420.1330 163.8207 -267453.9562 -222046.5905 163.8207 -3796.3817 -2540.0995 921491.4634 -3796.3817 -2540.0995
ENERGY: 494 20068.3368 20225.0262 5700.9805 171.2192 -337454.3848 23183.0800 0.0000 0.0000 45622.2477 -222483.4943 165.9612 -268105.7420 -222044.0871 165.9612 -2500.8991 -2482.1067 921491.4634 -2500.8991 -2482.1067
ENERGY: 495 19383.2465 20186.8301 5703.5926 172.5416 -336566.9900 23159.4630 0.0000 0.0000 45484.1233 -222477.1929 165.4587 -267961.3162 -222041.5567 165.4587 -1249.6837 -2407.3055 921491.4634 -1249.6837 -2407.3055
ENERGY: 496 19722.4834 20130.6472 5708.0350 174.0933 -335998.7170 23154.2640 0.0000 0.0000 44699.5273 -222409.6666 162.6046 -267109.1939 -222049.0676 162.6046 -478.8998 -2343.4750 921491.4634 -478.8998 -2343.4750
ENERGY: 497 20212.6667 20059.9176 5713.4613 175.7241 -335952.5055 23166.3549 0.0000 0.0000 44261.0292 -222363.3516 161.0095 -266624.3809 -222042.7506 161.0095 -421.0232 -2316.7928 921491.4634 -421.0232 -2316.7928
ENERGY: 498 20182.0163 19957.1214 5718.5596 177.2604 -336366.4944 23189.3589 0.0000 0.0000 44728.2539 -222413.9239 162.7091 -267142.1778 -222044.5226 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0676 19847.7306 5722.4089 178.6361 -337058.4835 23219.2408 0.0000 0.0000 45439.2649 -222493.1345 165.2956 -267932.3994 -222047.2068 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.458868 s/step 5.31097 days/ns 3224.04 MB memory
TIMING: 500 CPU: 234.897, 0.455688/step Wall: 234.897, 0.455688/step, 0 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8935 19756.6581 5724.4523 179.8271 -337741.4204 23251.1012 0.0000 0.0000 45359.0785 -222495.4097 165.0039 -267854.4882 -222061.0915 165.0039 -3197.5166 -2425.4141 921491.4634 -3197.5166 -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, 3228.938 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3228.938 MB of memory in use
====================================================
WallClock: 241.667252 CPUTime: 241.667252 Memory: 3228.937500 MB
[Partition 0][Node 0] End of program
Application 1111625 resources: utime ~950s, stime ~19s, Rss ~126496, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.667252
CPU=241.667252
MEM=3228.937500
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 18:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 19 18:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 19 18:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 19 18:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189493 Dec 19 18:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 19 18:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 18:46 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 19 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 19 18:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 19 18:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 19 18:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 19 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 19 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 19 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 19 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 19 18:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins10148650703265214136.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
