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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 ============== 54.8368
LDB: Largest compute 200 load 0.431272 is 1.2% of average load 36.858900
LDB: Average compute 0.051645 is 0.1% of average load 36.858900
LDB: Partitioning computes with target load 3.685890
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055647
LDB: ============== END OF LOAD BALANCING =============== 54.8389
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.8398
Info: Initial time: 4 CPUs 0.475558 s/step 5.50415 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.5304, 0.474552/step Wall: 48.5304, 0.474552/step, 0.052728 hours remaining, 3221.476562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 64.3146
LDB: ============== END OF LOAD BALANCING =============== 64.3147
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.3152
TIMING: 120 CPU: 58.0058, 0.473769/step Wall: 58.0058, 0.473769/step, 0.0500089 hours remaining, 3221.695312 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: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7054 -2927.3525 921491.4634 -2704.7054 -2927.3525
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TIMING: 140 CPU: 67.4699, 0.473203/step Wall: 67.4699, 0.473203/step, 0.0473203 hours remaining, 3221.878906 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: 76.9261, 0.472812/step Wall: 76.9261, 0.472812/step, 0.0446545 hours remaining, 3222.042969 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 22512.8125 18508.1493 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6066 -222342.9105 156.6790 -265413.5171 -222161.4907 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4180 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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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: 176 19195.1039 18891.7629 5743.5896 160.0071 -332124.2129 20943.2096 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5398 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.3726, 0.472324/step Wall: 86.3726, 0.472324/step, 0.0419844 hours remaining, 3222.183594 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 19266.0407 19234.9571 5686.4352 181.9571 -332240.0940 21043.7460 0.0000 0.0000 44391.5888 -222435.3690 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4734 -2731.4263 921491.4634 -2596.4734 -2731.4263
ENERGY: 187 22073.2968 19471.4305 5678.7398 184.6336 -333156.1129 21076.9265 0.0000 0.0000 42449.0057 -222222.0800 154.4178 -264671.0857 -222130.9079 154.4178 -3641.8537 -2802.0867 921491.4634 -3641.8537 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3671 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3654 -222242.4587 154.8738 -264816.8241 -222086.7180 154.8738 -3040.7438 -2596.5494 921491.4634 -3040.7438 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4997 21161.1534 0.0000 0.0000 43911.2863 -222391.0321 159.7372 -266302.3183 -222090.4392 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 102.127
LDB: Largest compute 200 load 0.427710 is 1.2% of average load 36.680500
LDB: Average compute 0.051383 is 0.1% of average load 36.680500
LDB: TIME 102.129 LOAD: AVG 36.6805 MAX 37.8117 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.5 MB
LDB: TIME 102.131 LOAD: AVG 36.6805 MAX 37.636 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.5 MB
LDB: ============== END OF LOAD BALANCING =============== 102.133
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 102.136
Info: Initial time: 4 CPUs 0.472806 s/step 5.47229 days/ns 3223.93 MB memory
TIMING: 200 CPU: 95.8208, 0.472408/step Wall: 95.8208, 0.472409/step, 0.0393674 hours remaining, 3223.933594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6836 18595.6349 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1601 -222569.9773 164.8586 -267889.1374 -222114.5246 164.8586 -5241.8524 -2703.6813 921491.4634 -5241.8524 -2703.6813
ENERGY: 201 23380.1029 18674.3332 5716.2802 191.4189 -334751.7132 21239.1341 0.0000 0.0000 43222.4696 -222327.9744 157.2315 -265550.4439 -222100.1080 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8449 5722.5980 192.1474 -334305.3008 21243.2752 0.0000 0.0000 42432.5589 -222241.0648 154.3580 -264673.6237 -222096.8292 154.3580 -3005.0518 -2588.0014 921491.4634 -3005.0518 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9376 21215.8254 0.0000 0.0000 44059.6988 -222431.1635 160.2771 -266490.8623 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2203 21188.8403 0.0000 0.0000 45629.4721 -222628.9811 165.9875 -268258.4532 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0792 19868.9415 5735.7153 189.6741 -332398.2556 21197.9186 0.0000 0.0000 44690.7150 -222526.2118 162.5725 -267216.9268 -222099.8062 162.5725 731.8533 -2447.6354 921491.4634 731.8533 -2447.6354
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ENERGY: 207 21693.8033 20338.2893 5726.5434 185.3060 -333603.9796 21289.9001 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1375 -222103.0934 153.3072 -1896.3480 -2585.9683 921491.4634 -1896.3480 -2585.9683
ENERGY: 208 20293.2703 20371.8905 5718.1572 182.8654 -334789.2380 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8136 -222122.6315 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8170 20325.0060 5710.3389 180.5135 -335910.2415 21349.5044 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 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 21385.1734 20194.2570 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4617 -222108.2017 164.6123 -6091.3661 -2896.2627 921491.4634 -6091.3661 -2896.2627
ENERGY: 211 24099.1927 19985.8632 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7286 -222254.1129 156.5376 -265285.8415 -222106.8542 156.5376 -5900.2976 -2885.1010 921491.4634 -5900.2976 -2885.1010
ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2318 156.4046 -4424.1001 -2820.3211 921491.4634 -4424.1001 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6442 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6746 -222527.8916 164.7987 -267830.5662 -222091.0447 164.7987 784.0013 -2554.0368 921491.4634 784.0013 -2554.0368
ENERGY: 216 20973.4718 19522.5061 5756.9571 180.1770 -332560.1065 21436.4836 0.0000 0.0000 42442.1788 -222248.3322 154.3930 -264690.5109 -222073.6160 154.3930 420.9898 -2541.5430 921491.4634 420.9898 -2541.5430
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6761 21497.2705 0.0000 0.0000 41983.6750 -222225.0686 152.7251 -264208.7436 -222064.4468 152.7251 -882.1702 -2598.7245 921491.4634 -882.1702 -2598.7245
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1150 21546.6561 0.0000 0.0000 44178.6836 -222478.5364 160.7099 -266657.2200 -222068.8159 160.7099 -2628.0654 -2703.9748 921491.4634 -2628.0654 -2703.9748
ENERGY: 219 19429.8640 19413.3931 5754.3577 187.2447 -334778.0711 21596.8808 0.0000 0.0000 45751.9297 -222644.4011 166.4329 -268396.3308 -222073.1723 166.4329 -4457.7333 -2810.5238 921491.4634 -4457.7333 -2810.5238
TIMING: 220 CPU: 105.262, 0.47205/step Wall: 105.262, 0.47205/step, 0.036715 hours remaining, 3223.933594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.697, 0.471753/step Wall: 114.697, 0.471753/step, 0.034071 hours remaining, 3223.933594 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8719 -222396.7194 158.3388 -265923.5913 -222063.5735 158.3388 -4623.1687 -2633.0913 921491.4634 -4623.1687 -2633.0913
ENERGY: 243 19462.3620 19969.6447 5749.3614 168.8705 -335233.7067 21770.4748 0.0000 0.0000 45537.0688 -222575.9244 165.6513 -268112.9933 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
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ENERGY: 246 20878.5482 19853.7026 5716.8932 174.1558 -334213.1208 21705.0851 0.0000 0.0000 43600.4181 -222284.3178 158.6063 -265884.7358 -222067.4295 158.6063 -1173.7931 -2523.3912 921491.4634 -1173.7931 -2523.3912
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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: 124.119, 0.471106/step Wall: 124.119, 0.471106/step, 0.0314071 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 264 19385.2261 20436.4307 5710.6950 187.5052 -334855.9515 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1928 -2723.5294 921491.4634 -2191.1928 -2723.5294
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ENERGY: 266 20048.7900 20788.8702 5712.1327 187.6137 -334399.4581 21914.4805 0.0000 0.0000 43399.3798 -222348.1912 157.8750 -265747.5710 -222054.3634 157.8750 -2130.7243 -2664.5956 921491.4634 -2130.7243 -2664.5956
ENERGY: 267 19648.0907 20691.2679 5707.0583 187.8501 -334831.4859 21930.8375 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4236 -2662.6783 921491.4634 -2435.4236 -2662.6783
ENERGY: 268 19962.9161 20375.7516 5700.1930 187.9286 -335513.7452 21959.1258 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -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 19450.9167 5690.3173 187.1618 -336650.6774 22028.8071 0.0000 0.0000 44308.0076 -222365.2738 161.1804 -266673.2815 -222067.0434 161.1804 -3583.3632 -2617.7583 921491.4634 -3583.3632 -2617.7583
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ENERGY: 272 21021.5583 18896.0660 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7077 -222503.3109 165.9083 -268111.0186 -222081.1570 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2137 18932.9079 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7162 -222499.9694 165.5264 -268002.6855 -222069.0457 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8503 19594.7507 5701.2546 182.4904 -333292.1284 21971.0410 0.0000 0.0000 44028.5274 -222412.2139 160.1637 -266440.7413 -222072.9394 160.1637 -1580.1302 -2417.6041 921491.4634 -1580.1302 -2417.6041
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3456 21997.2387 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6330 -222061.0987 162.3619 -2311.7546 -2498.0545 921491.4634 -2311.7546 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1005 22041.3359 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3648 19593.9432 5677.5176 184.5187 -335888.5802 22096.4199 0.0000 0.0000 43975.0881 -222376.7278 159.9693 -266351.8159 -222065.2023 159.9693 -4044.3212 -2682.8389 921491.4634 -4044.3212 -2682.8389
TIMING: 280 CPU: 133.527, 0.470417/step Wall: 133.527, 0.470417/step, 0.0287477 hours remaining, 3224.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7897 19615.5381 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3270 -2779.3668 921491.4634 -2992.3270 -2779.3668
ENERGY: 283 20432.1061 19966.6617 5678.8137 187.1634 -336251.9204 22171.0649 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1107 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3289 20789.9630 5707.3565 186.7145 -334827.1971 22167.0166 0.0000 0.0000 43418.2632 -222354.5545 157.9437 -265772.8177 -222053.5967 157.9437 -1010.8440 -2700.0820 921491.4634 -1010.8440 -2700.0820
ENERGY: 286 19396.6311 20966.5623 5721.5031 185.8229 -334658.1153 22176.6863 0.0000 0.0000 43785.6883 -222425.2212 159.2803 -266210.9095 -222054.0582 159.2803 -1306.7504 -2717.2847 921491.4634 -1306.7504 -2717.2847
ENERGY: 287 19176.1192 20856.7823 5731.9346 184.4714 -334918.1483 22200.2911 0.0000 0.0000 44282.9439 -222485.6059 161.0892 -266768.5498 -222055.7253 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3149 22237.9038 0.0000 0.0000 44116.9905 -222455.2375 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 149.27
LDB: Largest compute 200 load 0.520120 is 1.1% of average load 45.847488
LDB: Average compute 0.064214 is 0.1% of average load 45.847488
LDB: TIME 149.272 LOAD: AVG 45.8475 MAX 47.1341 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 149.273 LOAD: AVG 45.8475 MAX 47.1341 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 149.289 LOAD: AVG 45.8475 MAX 46.372 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 149.29
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.291
Info: Initial time: 4 CPUs 0.471062 s/step 5.4521 days/ns 3224.44 MB memory
TIMING: 300 CPU: 142.948, 0.471049/step Wall: 142.948, 0.471049/step, 0.0261694 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 300 21869.9879 20174.1891 5731.6695 182.6816 -337209.9031 22385.4780 0.0000 0.0000 44423.7998 -222442.0972 161.6016 -266865.8970 -222076.5868 161.6016 -4600.9406 -2563.6019 921491.4634 -4600.9406 -2563.6019
ENERGY: 301 21754.7695 20299.7854 5727.3852 184.0330 -337665.1001 22409.6627 0.0000 0.0000 44817.7468 -222471.7174 163.0346 -267289.4642 -222059.2468 163.0346 -4657.8461 -2584.2293 921491.4634 -4657.8461 -2584.2293
ENERGY: 302 21723.0646 20395.7909 5720.2599 184.8676 -337483.0153 22416.9292 0.0000 0.0000 44599.2671 -222442.8360 162.2399 -267042.1031 -222057.3399 162.2399 -3958.8647 -2554.2736 921491.4634 -3958.8647 -2554.2736
ENERGY: 303 21512.5328 20430.0802 5712.5286 185.2198 -336784.9552 22409.2049 0.0000 0.0000 44154.6911 -222380.6978 160.6226 -266535.3889 -222054.2087 160.6226 -2717.2718 -2487.9821 921491.4634 -2717.2718 -2487.9821
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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: 152.188, 0.461996/step Wall: 152.188, 0.461996/step, 0.0230998 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 325 19096.1754 20584.7376 5683.7433 184.8441 -335297.0514 22494.0543 0.0000 0.0000 44763.3955 -222490.1012 162.8369 -267253.4966 -222060.9514 162.8369 -1264.0247 -2529.6545 921491.4634 -1264.0247 -2529.6545
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ENERGY: 327 20020.7823 19506.2792 5669.7116 187.2139 -334851.2529 22513.0145 0.0000 0.0000 44550.7424 -222403.5090 162.0634 -266954.2514 -222059.8762 162.0634 -657.4992 -2506.5013 921491.4634 -657.4992 -2506.5013
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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 20420.1635 19649.7064 5693.3319 179.7347 -334824.3564 22536.4223 0.0000 0.0000 43995.5998 -222349.3977 160.0439 -266344.9976 -222040.1026 160.0439 -1064.7184 -2460.5859 921491.4634 -1064.7184 -2460.5859
ENERGY: 338 21007.5746 19722.4645 5687.5590 179.5437 -335808.8625 22564.1944 0.0000 0.0000 44285.9174 -222361.6090 161.1000 -266647.5263 -222041.5959 161.1000 -1500.9498 -2462.8576 921491.4634 -1500.9498 -2462.8576
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TIMING: 340 CPU: 161.424, 0.461805/step Wall: 161.424, 0.461805/step, 0.0205247 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3448 19066.8674 5675.7227 182.5405 -336836.8354 22661.9753 0.0000 0.0000 45710.0738 -222530.3109 166.2807 -268240.3847 -222058.0879 166.2807 -2896.5507 -2326.8868 921491.4634 -2896.5507 -2326.8868
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TIMING: 360 CPU: 170.657, 0.461623/step Wall: 170.657, 0.461623/step, 0.017952 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4610 20251.1596 5706.5522 182.3248 -335763.5804 22794.3774 0.0000 0.0000 43848.2753 -222334.4301 159.5080 -266182.7054 -222041.4011 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8100 20495.6598 5711.4639 183.2952 -336584.2280 22821.5837 0.0000 0.0000 44474.7536 -222423.6619 161.7869 -266898.4155 -222044.3966 161.7869 -2972.9873 -2523.3499 921491.4634 -2972.9873 -2523.3499
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TIMING: 380 CPU: 179.881, 0.461218/step Wall: 179.881, 0.461218/step, 0.0153739 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 385 19327.8182 19356.8911 5707.7752 177.4354 -335210.6400 22871.6143 0.0000 0.0000 45299.7169 -222469.3889 164.7879 -267769.1057 -222051.0993 164.7879 215.3513 -2064.3636 921491.4634 215.3513 -2064.3636
ENERGY: 386 19981.2275 19220.9464 5707.6638 175.9384 -334865.1816 22880.7957 0.0000 0.0000 44519.8583 -222378.7515 161.9510 -266898.6098 -222051.0437 161.9510 122.6667 -2011.2428 921491.4634 122.6667 -2011.2428
ENERGY: 387 20367.2861 19202.4844 5710.9355 174.6759 -335109.8724 22905.2743 0.0000 0.0000 44377.1813 -222372.0349 161.4320 -266749.2162 -222053.0049 161.4320 -738.9586 -2019.1689 921491.4634 -738.9586 -2019.1689
ENERGY: 388 20282.3987 19280.0168 5717.2935 173.7038 -335824.1517 22938.2900 0.0000 0.0000 44972.7759 -222459.6731 163.5986 -267432.4490 -222067.4817 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -2076.2821
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8115 20133.3594 5716.9814 176.0456 -336812.3382 23014.0584 0.0000 0.0000 45592.7322 -222486.3496 165.8538 -268079.0818 -222045.7222 165.8538 -1710.2238 -2443.6966 921491.4634 -1710.2238 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 195.456
LDB: Largest compute 230 load 0.528795 is 1.2% of average load 45.736084
LDB: Average compute 0.064044 is 0.1% of average load 45.736084
LDB: TIME 195.457 LOAD: AVG 45.7361 MAX 46.1644 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.44 MB
LDB: TIME 195.458 LOAD: AVG 45.7361 MAX 46.1644 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: TIME 195.458 LOAD: AVG 45.7361 MAX 46.1644 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.44 MB
LDB: ============== END OF LOAD BALANCING =============== 195.459
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.459
Info: Benchmark time: 4 CPUs 0.461585 s/step 5.34242 days/ns 3224.44 MB memory
TIMING: 400 CPU: 189.111, 0.461485/step Wall: 189.111, 0.461485/step, 0.012819 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 408 19735.8469 19387.6643 5692.2152 187.5226 -335902.8214 23017.8173 0.0000 0.0000 45394.4120 -222487.3431 165.1324 -267881.7551 -222063.5311 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1186 19376.4607 5688.4775 191.1593 -336896.6842 23057.9922 0.0000 0.0000 45733.6057 -222498.8703 166.3663 -268232.4760 -222051.6704 166.3663 -2367.4919 -2346.9325 921491.4634 -2367.4919 -2346.9325
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 19942.3171 20661.9899 5710.0857 195.6953 -336157.5864 23063.1715 0.0000 0.0000 44200.2848 -222384.0421 160.7885 -266584.3268 -222052.9644 160.7885 -282.7616 -2224.6897 921491.4634 -282.7616 -2224.6897
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ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7867 23098.6726 0.0000 0.0000 44915.1421 -222450.9778 163.3889 -267366.1200 -222046.7093 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
ENERGY: 419 20790.7630 20185.5524 5700.4810 184.6054 -337717.8754 23139.8023 0.0000 0.0000 45250.3099 -222466.3613 164.6082 -267716.6712 -222049.5950 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 198.307, 0.459827/step Wall: 198.307, 0.459827/step, 0.0102184 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 426 19603.3347 19432.3069 5702.4947 169.0990 -335270.6872 23080.2891 0.0000 0.0000 44862.7382 -222420.4247 163.1983 -267283.1629 -222049.1090 163.1983 -1125.8052 -2237.7214 921491.4634 -1125.8052 -2237.7214
ENERGY: 427 19598.5315 19595.2898 5707.1504 168.7509 -335498.4315 23074.5005 0.0000 0.0000 44915.2773 -222438.9311 163.3894 -267354.2084 -222048.7338 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4226 19760.4170 5710.4628 168.5259 -336199.9847 23087.7675 0.0000 0.0000 44884.2593 -222448.1295 163.2766 -267332.3888 -222058.0548 163.2766 -935.5731 -2206.9584 921491.4634 -935.5731 -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 22013.9870 20024.3739 5712.1700 168.1897 -338096.9199 23149.4491 0.0000 0.0000 44626.3096 -222402.4405 162.3382 -267028.7501 -222047.3913 162.3382 -2472.2455 -2268.0465 921491.4634 -2472.2455 -2268.0465
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ENERGY: 432 21768.3703 20188.6727 5710.3546 168.1086 -338651.2096 23176.0844 0.0000 0.0000 45177.9907 -222461.6284 164.3451 -267639.6191 -222065.9057 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9072 20275.9666 5710.3763 168.4633 -338164.0633 23162.2908 0.0000 0.0000 45192.9280 -222453.1310 164.3995 -267646.0591 -222052.5981 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3413 20338.1502 5711.6061 169.3247 -337394.2700 23140.7733 0.0000 0.0000 44883.0994 -222420.9751 163.2724 -267304.0745 -222051.1462 163.2724 -2694.3109 -2227.7885 921491.4634 -2694.3109 -2227.7885
ENERGY: 435 20235.2201 20362.4017 5714.0003 170.8455 -336680.6550 23123.4095 0.0000 0.0000 44675.9836 -222398.7943 162.5189 -267074.7779 -222049.5888 162.5189 -2061.3583 -2179.8951 921491.4634 -2061.3583 -2179.8951
ENERGY: 436 19670.9242 20349.9983 5717.2345 173.0864 -336303.8808 23119.9075 0.0000 0.0000 44847.0980 -222425.6318 163.1414 -267272.7298 -222059.6960 163.1414 -1520.6600 -2145.1617 921491.4634 -1520.6600 -2145.1617
ENERGY: 437 19434.5515 20329.5093 5720.9893 175.9827 -336411.9779 23136.3865 0.0000 0.0000 45159.2684 -222455.2901 164.2770 -267614.5586 -222050.7503 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1531 20278.6096 5724.6883 179.3849 -336899.4570 23173.5516 0.0000 0.0000 45148.1320 -222459.9374 164.2365 -267608.0694 -222051.5669 164.2365 -1493.0941 -2145.0881 921491.4634 -1493.0941 -2145.0881
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TIMING: 440 CPU: 207.499, 0.459589/step Wall: 207.499, 0.459589/step, 0.00765982 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5682 20036.2372 5729.7527 186.7202 -338123.1801 23276.2482 0.0000 0.0000 44417.5454 -222405.1083 161.5788 -266822.6537 -222059.4776 161.5788 -2408.4613 -2197.9673 921491.4634 -2408.4613 -2197.9673
ENERGY: 441 22355.5484 19860.0409 5730.3487 190.1146 -338361.1709 23313.2041 0.0000 0.0000 44502.6959 -222409.2183 161.8886 -266911.9142 -222050.0864 161.8886 -2716.1028 -2221.5315 921491.4634 -2716.1028 -2221.5315
ENERGY: 442 21853.6116 19664.5348 5729.4854 192.9411 -338090.1527 23327.1564 0.0000 0.0000 44880.6316 -222441.7917 163.2634 -267322.4233 -222049.7759 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3315 19487.0721 5727.6164 194.9329 -337369.3144 23320.0153 0.0000 0.0000 45118.1104 -222457.2358 164.1273 -267575.3462 -222048.6000 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3363 19357.2687 5725.4095 195.8735 -336464.1915 23301.5271 0.0000 0.0000 44987.7173 -222447.0590 163.6530 -267434.7763 -222057.9799 163.6530 -2090.2102 -2206.4401 921491.4634 -2090.2102 -2206.4401
ENERGY: 445 20125.5609 19307.2515 5723.6513 195.6942 -335759.3908 23283.8134 0.0000 0.0000 44708.7152 -222414.7044 162.6380 -267123.4195 -222046.5430 162.6380 -1846.9629 -2201.6927 921491.4634 -1846.9629 -2201.6927
ENERGY: 446 19947.6805 19324.9004 5722.5429 194.3235 -335494.5703 23276.0446 0.0000 0.0000 44620.2943 -222408.7841 162.3164 -267029.0784 -222046.1622 162.3164 -1800.7521 -2216.7295 921491.4634 -1800.7521 -2216.7295
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4396 23282.7452 0.0000 0.0000 44816.5086 -222425.8052 163.0301 -267242.3138 -222046.8345 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5921 19583.6801 5722.5764 188.5554 -336503.1796 23303.8898 0.0000 0.0000 45065.6672 -222451.2186 163.9365 -267516.8859 -222059.3482 163.9365 -2372.1880 -2303.7901 921491.4634 -2372.1880 -2303.7901
ENERGY: 449 20877.4059 19832.6988 5723.5712 184.8596 -337500.9068 23334.5917 0.0000 0.0000 45101.1675 -222446.6120 164.0657 -267547.7796 -222047.7100 164.0657 -2827.1082 -2356.1409 921491.4634 -2827.1082 -2356.1409
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 20108.1303 5724.4776 181.0897 -338419.3246 23364.6236 0.0000 0.0000 44854.3094 -222432.2087 163.1676 -267286.5181 -222048.7862 163.1676 -3116.6758 -2394.3899 921491.4634 -3116.6758 -2394.3899
ENERGY: 451 22355.5901 20357.7259 5724.7144 177.6516 -338952.0906 23381.8000 0.0000 0.0000 44542.6985 -222411.9101 162.0341 -266954.6086 -222048.8247 162.0341 -3074.2534 -2405.7800 921491.4634 -3074.2534 -2405.7800
ENERGY: 452 22246.2013 20536.0137 5723.8953 174.8859 -338927.1536 23378.0936 0.0000 0.0000 44452.9196 -222415.1441 161.7075 -266868.0637 -222059.6372 161.7075 -2659.9607 -2384.7570 921491.4634 -2659.9607 -2384.7570
ENERGY: 453 21399.8726 20641.1313 5722.2878 173.1350 -338392.7933 23354.5900 0.0000 0.0000 44683.7034 -222418.0731 162.5470 -267101.7766 -222043.5373 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3383 20654.1375 5720.2217 172.3637 -337567.1415 23320.6894 0.0000 0.0000 45008.1466 -222443.2443 163.7273 -267451.3908 -222041.8392 163.7273 -1453.4583 -2293.1452 921491.4634 -1453.4583 -2293.1452
ENERGY: 455 19486.7909 20584.7121 5718.4844 172.5169 -336790.6453 23290.4016 0.0000 0.0000 45086.5788 -222451.1604 164.0126 -267537.7393 -222040.8571 164.0126 -1151.8828 -2255.8574 921491.4634 -1151.8828 -2255.8574
ENERGY: 456 19493.3723 20440.6801 5717.7556 173.4248 -336350.1074 23274.9624 0.0000 0.0000 44811.4725 -222438.4396 163.0118 -267249.9121 -222055.3487 163.0118 -1305.5008 -2245.5825 921491.4634 -1305.5008 -2245.5825
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8161 23277.8268 0.0000 0.0000 44521.8705 -222403.2003 161.9583 -266925.0708 -222049.4133 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8434 20019.2723 5720.7061 176.6081 -336835.0953 23294.7166 0.0000 0.0000 44632.7888 -222405.1600 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6988 -2301.0428 921491.4634 -2684.6988 -2301.0428
ENERGY: 459 20903.4944 19784.9690 5724.0021 178.1985 -337468.1635 23318.6976 0.0000 0.0000 45113.9366 -222444.8653 164.1121 -267558.8019 -222053.1412 164.1121 -3350.5832 -2341.5798 921491.4634 -3350.5832 -2341.5798
TIMING: 460 CPU: 216.692, 0.459624/step Wall: 216.692, 0.459624/step, 0.00510694 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9064 5728.0971 179.4910 -338014.3758 23341.7994 0.0000 0.0000 45423.8563 -222480.6118 165.2395 -267904.4680 -222064.6837 165.2395 -3669.8202 -2365.2414 921491.4634 -3669.8202 -2365.2414
ENERGY: 461 21862.8762 19507.1075 5732.5752 180.4333 -338251.6206 23355.3928 0.0000 0.0000 45154.6135 -222458.6221 164.2601 -267613.2356 -222058.0509 164.2601 -3556.1667 -2361.1801 921491.4634 -3556.1667 -2361.1801
ENERGY: 462 22264.2255 19487.8108 5736.4822 180.9531 -337988.7161 23351.1079 0.0000 0.0000 44559.9289 -222408.2076 162.0968 -266968.1365 -222056.7216 162.0968 -2954.8202 -2323.4253 921491.4634 -2954.8202 -2323.4253
ENERGY: 463 21821.1791 19513.9015 5738.9361 181.1160 -337284.1020 23326.9471 0.0000 0.0000 44313.4569 -222388.5654 161.2002 -266702.0223 -222054.6244 161.2002 -2012.4427 -2264.0780 921491.4634 -2012.4427 -2264.0780
ENERGY: 464 20535.2461 19559.9271 5739.2518 181.0096 -336389.3831 23291.1935 0.0000 0.0000 44654.0265 -222428.7285 162.4391 -267082.7549 -222058.5729 162.4391 -1050.9231 -2205.5270 921491.4634 -1050.9231 -2205.5270
ENERGY: 465 19322.7828 19631.8854 5737.2898 180.7155 -335701.1525 23259.7384 0.0000 0.0000 45094.5685 -222474.1720 164.0416 -267568.7405 -222052.9388 164.0416 -512.3351 -2174.4010 921491.4634 -512.3351 -2174.4010
ENERGY: 466 19088.4511 19708.3582 5733.2107 180.2808 -335443.7716 23245.0597 0.0000 0.0000 45020.7906 -222467.6206 163.7733 -267488.4112 -222052.9785 163.7733 -630.3318 -2182.6713 921491.4634 -630.3318 -2182.6713
ENERGY: 467 19841.8069 19783.1744 5727.6704 179.7757 -335721.0942 23249.4523 0.0000 0.0000 44523.6663 -222415.5483 161.9649 -266939.2146 -222054.3495 161.9649 -1393.6032 -2232.5926 921491.4634 -1393.6032 -2232.5926
ENERGY: 468 20761.8480 19845.4945 5721.5089 179.2779 -336451.5659 23265.8118 0.0000 0.0000 44291.6584 -222385.9665 161.1209 -266677.6248 -222056.3593 161.1209 -2508.6716 -2314.1343 921491.4634 -2508.6716 -2314.1343
ENERGY: 469 21236.3014 19910.2025 5715.6824 178.8504 -337458.3196 23284.3955 0.0000 0.0000 44720.3201 -222412.5674 162.6802 -267132.8875 -222046.0751 162.6802 -3596.7407 -2405.7975 921491.4634 -3596.7407 -2405.7975
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8938 5710.9491 178.5947 -338383.2503 23297.0666 0.0000 0.0000 45346.4574 -222466.1158 164.9579 -267812.5731 -222047.6090 164.9579 -4259.6997 -2477.6834 921491.4634 -4259.6997 -2477.6834
ENERGY: 471 21732.8676 20054.6839 5707.9626 178.5890 -338913.2448 23297.5078 0.0000 0.0000 45471.3367 -222470.2972 165.4122 -267941.6339 -222047.5361 165.4122 -4290.5685 -2504.3178 921491.4634 -4290.5685 -2504.3178
ENERGY: 472 22081.2360 20161.5555 5707.0091 178.9047 -338870.6766 23279.4485 0.0000 0.0000 45028.5298 -222433.9932 163.8014 -267462.5229 -222059.5060 163.8014 -3659.7363 -2479.9187 921491.4634 -3659.7363 -2479.9187
ENERGY: 473 21866.1363 20289.3428 5707.9843 179.6165 -338307.7192 23240.7357 0.0000 0.0000 44634.5174 -222389.3861 162.3681 -267023.9036 -222043.8542 162.3681 -2556.3620 -2408.1660 921491.4634 -2556.3620 -2408.1660
ENERGY: 474 20842.9706 20372.0987 5710.2160 180.7466 -337438.4553 23189.2342 0.0000 0.0000 44733.2307 -222409.9584 162.7272 -267143.1891 -222041.2622 162.7272 -1295.5529 -2316.2731 921491.4634 -1295.5529 -2316.2731
ENERGY: 475 19674.2082 20371.7674 5712.9876 182.2512 -336604.2314 23142.3812 0.0000 0.0000 45070.2139 -222450.4219 163.9531 -267520.6358 -222039.4532 163.9531 -344.6453 -2232.2128 921491.4634 -344.6453 -2232.2128
ENERGY: 476 19235.7863 20282.0274 5715.7683 184.0125 -336100.0901 23115.8461 0.0000 0.0000 45106.0634 -222460.5861 164.0835 -267566.6495 -222053.6138 164.0835 -92.4052 -2183.0654 921491.4634 -92.4052 -2183.0654
ENERGY: 477 19704.7249 20145.9813 5718.4976 185.9230 -336101.8784 23114.2934 0.0000 0.0000 44812.3208 -222420.1374 163.0149 -267232.4582 -222044.8411 163.0149 -667.4947 -2171.8230 921491.4634 -667.4947 -2171.8230
ENERGY: 478 20493.4775 19974.7638 5721.0254 187.7262 -336537.4029 23131.2455 0.0000 0.0000 44627.0332 -222402.1314 162.3409 -267029.1646 -222047.4107 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3055 19793.3955 5723.3295 189.2099 -337215.5829 23156.6766 0.0000 0.0000 44802.1576 -222425.5082 162.9779 -267227.6658 -222050.5460 162.9779 -3089.8515 -2246.7919 921491.4634 -3089.8515 -2246.7919
TIMING: 480 CPU: 225.872, 0.45903/step Wall: 225.872, 0.45903/step, 0.00255017 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0324 19623.1964 5725.3111 190.1901 -337854.6775 23181.5113 0.0000 0.0000 45051.6812 -222458.7551 163.8856 -267510.4363 -222064.6211 163.8856 -4077.7325 -2291.4893 921491.4634 -4077.7325 -2291.4893
ENERGY: 481 22092.4852 19510.0432 5727.0952 190.6351 -338199.2471 23196.7954 0.0000 0.0000 45041.3366 -222440.8564 163.8480 -267482.1931 -222052.5267 163.8480 -4466.2393 -2305.6734 921491.4634 -4466.2393 -2305.6734
ENERGY: 482 22186.3467 19466.6793 5728.4964 190.3598 -338044.5410 23192.7469 0.0000 0.0000 44865.8519 -222414.0602 163.2096 -267279.9121 -222051.4114 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1414 19511.5743 5729.5660 189.3227 -337426.2179 23165.8736 0.0000 0.0000 44861.8968 -222414.8431 163.1953 -267276.7399 -222048.7673 163.1953 -2964.1724 -2216.4117 921491.4634 -2964.1724 -2216.4117
ENERGY: 484 20460.8928 19631.1938 5730.2465 187.5455 -336590.8880 23126.1347 0.0000 0.0000 45003.6029 -222451.2717 163.7107 -267454.8746 -222059.8742 163.7107 -1565.2428 -2143.1851 921491.4634 -1565.2428 -2143.1851
ENERGY: 485 19688.7724 19800.2991 5730.5256 185.2458 -335902.5862 23092.8466 0.0000 0.0000 44955.5722 -222449.3246 163.5360 -267404.8967 -222045.9606 163.5360 -422.1573 -2086.8737 921491.4634 -422.1573 -2086.8737
ENERGY: 486 19602.5429 19954.8177 5729.7197 182.4662 -335612.3564 23080.3804 0.0000 0.0000 44645.9113 -222416.5181 162.4096 -267062.4294 -222044.6760 162.4096 87.3177 -2070.0984 921491.4634 87.3177 -2070.0984
ENERGY: 487 19881.0925 20072.0215 5727.4347 179.4360 -335846.4476 23091.0540 0.0000 0.0000 44503.3489 -222392.0599 161.8910 -266895.4088 -222045.2407 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2096 20156.1364 5723.5441 176.4338 -336552.5446 23118.8613 0.0000 0.0000 44827.0553 -222425.3041 163.0685 -267252.3594 -222057.1939 163.0685 -1145.7533 -2194.6680 921491.4634 -1145.7533 -2194.6680
ENERGY: 489 20526.8869 20236.4612 5718.5748 173.8639 -337540.4648 23156.7307 0.0000 0.0000 45266.1000 -222461.8473 164.6656 -267727.9473 -222045.6086 164.6656 -2511.2403 -2316.7067 921491.4634 -2511.2403 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7487 20292.9024 5712.8912 171.8438 -338458.1354 23196.4875 0.0000 0.0000 45213.5625 -222459.6994 164.4745 -267673.2619 -222048.2208 164.4745 -3823.4036 -2437.4155 921491.4634 -3823.4036 -2437.4155
ENERGY: 491 22430.4637 20312.1363 5707.3795 170.5404 -338984.5789 23226.0935 0.0000 0.0000 44733.0086 -222404.9569 162.7264 -267137.9655 -222049.4638 162.7264 -4629.6932 -2524.6215 921491.4634 -4629.6932 -2524.6215
ENERGY: 492 22612.9546 20289.6812 5702.9944 170.0208 -338937.5814 23232.7204 0.0000 0.0000 44542.1949 -222387.0152 162.0323 -266929.2101 -222060.3861 162.0323 -4606.8524 -2557.4730 921491.4634 -4606.8524 -2557.4730
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3200 -338358.0635 23214.0536 0.0000 0.0000 45033.8228 -222420.1328 163.8207 -267453.9556 -222046.5902 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3368 20225.0263 5700.9805 171.2193 -337454.3839 23183.0795 0.0000 0.0000 45622.2474 -222483.4941 165.9612 -268105.7415 -222044.0869 165.9612 -2500.8995 -2482.1069 921491.4634 -2500.8995 -2482.1069
ENERGY: 495 19383.2466 20186.8303 5703.5926 172.5416 -336566.9891 23159.4625 0.0000 0.0000 45484.1229 -222477.1927 165.4587 -267961.3155 -222041.5565 165.4587 -1249.6840 -2407.3056 921491.4634 -1249.6840 -2407.3056
ENERGY: 496 19722.4837 20130.6475 5708.0350 174.0933 -335998.7159 23154.2635 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1929 -222049.0671 162.6046 -478.9000 -2343.4751 921491.4634 -478.9000 -2343.4751
ENERGY: 497 20212.6669 20059.9179 5713.4613 175.7241 -335952.5045 23166.3545 0.0000 0.0000 44261.0287 -222363.3511 161.0095 -266624.3798 -222042.7501 161.0095 -421.0233 -2316.7928 921491.4634 -421.0233 -2316.7928
ENERGY: 498 20182.0164 19957.1218 5718.5596 177.2604 -336366.4935 23189.3585 0.0000 0.0000 44728.2534 -222413.9234 162.7091 -267142.1768 -222044.5220 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0677 19847.7311 5722.4089 178.6361 -337058.4825 23219.2404 0.0000 0.0000 45439.2645 -222493.1340 165.2956 -267932.3984 -222047.2063 165.2956 -2020.8686 -2376.3391 921491.4634 -2020.8686 -2376.3391
Info: Benchmark time: 4 CPUs 0.458681 s/step 5.30881 days/ns 3224.44 MB memory
TIMING: 500 CPU: 234.979, 0.455343/step Wall: 234.979, 0.455343/step, 0 hours remaining, 3224.437500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8935 19756.6585 5724.4523 179.8271 -337741.4197 23251.1008 0.0000 0.0000 45359.0779 -222495.4094 165.0039 -267854.4874 -222061.0913 165.0039 -3197.5166 -2425.4142 921491.4634 -3197.5166 -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, 3229.352 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.352 MB of memory in use
====================================================
WallClock: 242.215302 CPUTime: 242.215317 Memory: 3229.351562 MB
[Partition 0][Node 0] End of program
Application 1110022 resources: utime ~951s, stime ~20s, Rss ~126816, inblocks ~66552, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=242.215302
CPU=242.215317
MEM=3229.351562
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 18:50 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 14 18:50 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 14 18:50 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 14 18:49 status
-rwxr-xr-x 1 bwjenkins BW_System 189494 Dec 14 18:49 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 14 18:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 18:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 14 18:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 14 18:22 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 14 18:22 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 14 18:22 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 14 18:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 14 18:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 14 18:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 14 18:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 14 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/jenkins10800261160910756005.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}
