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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 ============== 54.3193
LDB: Largest compute 200 load 0.431309 is 1.2% of average load 36.798488
LDB: Average compute 0.051541 is 0.1% of average load 36.798488
LDB: Partitioning computes with target load 3.679849
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055907
LDB: ============== END OF LOAD BALANCING =============== 54.3214
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3223
Info: Initial time: 4 CPUs 0.474607 s/step 5.49314 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.4344, 0.473592/step Wall: 48.4344, 0.473592/step, 0.0526213 hours remaining, 3221.542969 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 ============== 63.7756
LDB: ============== END OF LOAD BALANCING =============== 63.7757
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7762
TIMING: 120 CPU: 57.8858, 0.472569/step Wall: 57.8858, 0.472569/step, 0.0498823 hours remaining, 3221.691406 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 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9640 -222340.8739 155.6399 -265125.8379 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.3343, 0.472425/step Wall: 67.3343, 0.472425/step, 0.0472425 hours remaining, 3221.835938 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: 76.7711, 0.471843/step Wall: 76.7711, 0.471843/step, 0.044563 hours remaining, 3222.152344 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 20887.8856 0.0000 0.0000 43070.6068 -222342.9105 156.6790 -265413.5173 -222161.4907 156.6790 -5004.1554 -2859.8871 921491.4634 -5004.1554 -2859.8871
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ENERGY: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -222149.7708 154.5754 -1735.9906 -2933.5977 921491.4634 -1735.9906 -2933.5977
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1371 -222126.1322 156.7902 -2936.2257 -2665.7682 921491.4634 -2936.2257 -2665.7682
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TIMING: 180 CPU: 86.1937, 0.471129/step Wall: 86.1937, 0.471129/step, 0.0418781 hours remaining, 3222.152344 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 18376.8755 19424.9915 5710.5469 174.1844 -332181.9080 21042.4479 0.0000 0.0000 44880.5527 -222572.3092 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0404 19234.9571 5686.4352 181.9571 -332240.0938 21043.7459 0.0000 0.0000 44391.5887 -222435.3693 161.4844 -266826.9580 -222129.2889 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4303 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0057 -222222.0803 154.4178 -264671.0859 -222130.9081 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8244 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.5000 21161.1534 0.0000 0.0000 43911.2864 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6810 -2646.7679 921491.4634 -4381.6810 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.511
LDB: Largest compute 200 load 0.426142 is 1.2% of average load 36.614781
LDB: Average compute 0.051283 is 0.1% of average load 36.614781
LDB: TIME 101.513 LOAD: AVG 36.6148 MAX 37.7349 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.5 MB
LDB: TIME 101.515 LOAD: AVG 36.6148 MAX 37.572 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.5 MB
LDB: ============== END OF LOAD BALANCING =============== 101.517
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.52
Info: Initial time: 4 CPUs 0.471801 s/step 5.46066 days/ns 3223.43 MB memory
TIMING: 200 CPU: 95.6244, 0.471533/step Wall: 95.6244, 0.471533/step, 0.0392944 hours remaining, 3223.425781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6986 -222431.1636 160.2771 -266490.8622 -222093.6429 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8136 -222122.6316 161.6191 -3669.0644 -2719.7952 921491.4634 -3669.0644 -2719.7952
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6799 -222642.3817 168.3309 -268916.0616 -222106.7902 168.3309 -5197.7276 -2836.6306 921491.4634 -5197.7276 -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 21385.1736 20194.2568 5705.3139 178.4614 -336615.7770 21385.1096 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3665 -2896.2627 921491.4634 -6091.3665 -2896.2627
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ENERGY: 212 23739.2708 19730.8222 5710.0295 176.0352 -336013.6228 21412.5983 0.0000 0.0000 42995.1638 -222249.7029 156.4046 -265244.8667 -222104.2321 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6444 21380.5552 0.0000 0.0000 45418.7805 -222504.4450 165.2210 -267923.2255 -222097.3838 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1888 170.8220 -269639.6590 -222093.7410 170.8220 -143.6684 -2626.0579 921491.4634 -143.6684 -2626.0579
ENERGY: 215 18210.5053 19441.9743 5746.5772 178.1492 -332787.3323 21379.5596 0.0000 0.0000 45302.6746 -222527.8920 164.7987 -267830.5666 -222091.0450 164.7987 784.0016 -2554.0368 921491.4634 784.0016 -2554.0368
ENERGY: 216 20973.4715 19522.5062 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1788 -222248.3318 154.3930 -264690.5106 -222073.6156 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6751 -222225.0683 152.7251 -264208.7433 -222064.4464 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
ENERGY: 219 19429.8642 19413.3932 5754.3577 187.2447 -334778.0710 21596.8809 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7334 -2810.5237 921491.4634 -4457.7334 -2810.5237
TIMING: 220 CPU: 105.041, 0.470833/step Wall: 105.041, 0.470833/step, 0.0366203 hours remaining, 3223.425781 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: 114.451, 0.470501/step Wall: 114.451, 0.470501/step, 0.0339807 hours remaining, 3223.425781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0422 20119.9135 5760.6910 171.4213 -335766.3628 21854.4254 0.0000 0.0000 42641.4775 -222357.3920 155.1180 -264998.8695 -222074.0953 155.1180 -3844.9086 -2568.3896 921491.4634 -3844.9086 -2568.3896
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ENERGY: 242 22110.7716 20111.8209 5758.5348 169.0441 -335904.8197 21831.0568 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7068 21770.4749 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6674 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
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ENERGY: 246 20878.5479 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5285 19979.6439 5712.7400 177.5412 -334802.1840 21719.8455 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 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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ENERGY: 252 21994.9041 20013.1598 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3720 -222425.8457 159.7157 -266331.2177 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
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ENERGY: 255 20324.2309 19109.4102 5707.6062 196.0620 -333099.9231 21746.1515 0.0000 0.0000 43667.4211 -222349.0411 158.8501 -266016.4622 -222078.3976 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4407 18950.9578 5693.4518 195.6570 -332975.5971 21757.6847 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0038 21780.2419 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
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TIMING: 260 CPU: 123.851, 0.469994/step Wall: 123.851, 0.469994/step, 0.0313329 hours remaining, 3223.804688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9713 21924.4739 0.0000 0.0000 45349.7770 -222527.2806 164.9700 -267877.0576 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2259 20436.4306 5710.6950 187.5052 -334855.9510 21907.7771 0.0000 0.0000 44751.4782 -222476.8390 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8413 20681.9926 5713.6241 187.4392 -334395.6630 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7896 20788.8700 5712.1327 187.6137 -334399.4575 21914.4804 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5710 -222054.3636 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0904 20691.2677 5707.0583 187.8501 -334831.4854 21930.8373 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7447 21959.1256 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9874 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
ENERGY: 269 21396.7814 19927.1701 5694.0390 187.7639 -336221.0660 21997.2160 0.0000 0.0000 44586.5098 -222431.5857 162.1935 -267018.0956 -222066.1973 162.1935 -3401.4130 -2647.2949 921491.4634 -3401.4130 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9166 5690.3173 187.1618 -336650.6774 22028.8070 0.0000 0.0000 44308.0075 -222365.2737 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
ENERGY: 271 22345.5823 19078.8064 5690.0209 186.1610 -336571.7891 22035.2500 0.0000 0.0000 44829.4473 -222406.5211 163.0772 -267235.9684 -222066.8385 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4611 22015.0579 0.0000 0.0000 45607.7076 -222503.3108 165.9083 -268111.0183 -222081.1569 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7008 21985.5295 0.0000 0.0000 45502.7160 -222499.9693 165.5264 -268002.6853 -222069.0456 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8499 19594.7507 5701.2547 182.4904 -333292.1279 21971.0409 0.0000 0.0000 44028.5272 -222412.2139 160.1637 -266440.7412 -222072.9394 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2970 19724.7160 5695.5210 182.9396 -333864.3452 21997.2387 0.0000 0.0000 44632.8113 -222481.8217 162.3619 -267114.6329 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3651 19593.9431 5677.5176 184.5187 -335888.5802 22096.4199 0.0000 0.0000 43975.0880 -222376.7278 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.251, 0.47/step Wall: 133.251, 0.47/step, 0.0287222 hours remaining, 3223.804688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3232 19458.4367 5670.0026 185.3899 -336752.6635 22145.1354 0.0000 0.0000 44066.7338 -222367.6418 160.3027 -266434.3756 -222073.4246 160.3027 -4286.3895 -2748.0546 921491.4634 -4286.3895 -2748.0546
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ENERGY: 282 20943.7898 19615.5380 5669.9796 186.8360 -336942.5035 22176.7655 0.0000 0.0000 45823.3370 -222526.2577 166.6927 -268349.5947 -222063.3315 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6615 5678.8137 187.1634 -336251.9201 22171.0649 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1106 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.3998 20401.8822 5692.0830 187.1346 -335412.6297 22166.2910 0.0000 0.0000 44071.4480 -222387.3912 160.3198 -266458.8392 -222061.5538 160.3198 -1267.2789 -2712.3902 921491.4634 -1267.2789 -2712.3902
ENERGY: 285 20203.3285 20789.9628 5707.3565 186.7145 -334827.1962 22167.0166 0.0000 0.0000 43418.2631 -222354.5543 157.9437 -265772.8174 -222053.5965 157.9437 -1010.8436 -2700.0820 921491.4634 -1010.8436 -2700.0820
ENERGY: 286 19396.6307 20966.5621 5721.5031 185.8229 -334658.1145 22176.6863 0.0000 0.0000 43785.6882 -222425.2210 159.2803 -266210.9093 -222054.0580 159.2803 -1306.7500 -2717.2847 921491.4634 -1306.7500 -2717.2847
ENERGY: 287 19176.1189 20856.7821 5731.9346 184.4714 -334918.1477 22200.2911 0.0000 0.0000 44282.9438 -222485.6057 161.0892 -266768.5495 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2850 5736.9558 182.7335 -335468.3149 22237.9038 0.0000 0.0000 44116.9904 -222455.2376 160.4855 -266572.2280 -222066.9053 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4836 19928.6978 5736.1905 180.7560 -336126.9124 22279.0690 0.0000 0.0000 43733.4512 -222382.2642 159.0903 -266115.7154 -222062.2725 159.0903 -4368.9816 -2809.8750 921491.4634 -4368.9816 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.548
LDB: Largest compute 200 load 0.519670 is 1.1% of average load 45.753338
LDB: Average compute 0.064078 is 0.1% of average load 45.753338
LDB: TIME 148.55 LOAD: AVG 45.7533 MAX 47.0099 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 148.55 LOAD: AVG 45.7533 MAX 47.0099 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 148.566 LOAD: AVG 45.7533 MAX 46.276 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 148.567
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.569
Info: Initial time: 4 CPUs 0.469995 s/step 5.43976 days/ns 3224.23 MB memory
TIMING: 300 CPU: 142.645, 0.469706/step Wall: 142.645, 0.469706/step, 0.0260948 hours remaining, 3224.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 320 CPU: 151.869, 0.461202/step Wall: 151.869, 0.461202/step, 0.0230601 hours remaining, 3224.226562 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: 161.088, 0.460931/step Wall: 161.088, 0.460931/step, 0.0204858 hours remaining, 3224.226562 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: 170.3, 0.460605/step Wall: 170.3, 0.460605/step, 0.0179124 hours remaining, 3224.226562 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: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2273 22821.5834 0.0000 0.0000 44474.7534 -222423.6621 161.7869 -266898.4155 -222044.3967 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.506, 0.46032/step Wall: 179.506, 0.46032/step, 0.015344 hours remaining, 3224.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 387 20367.2860 19202.4844 5710.9354 174.6759 -335109.8726 22905.2742 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2166 -222053.0053 161.4320 -738.9586 -2019.1690 921491.4634 -738.9586 -2019.1690
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 194.645
LDB: Largest compute 230 load 0.528060 is 1.2% of average load 45.637937
LDB: Average compute 0.063921 is 0.1% of average load 45.637937
LDB: TIME 194.646 LOAD: AVG 45.6379 MAX 46.0758 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.23 MB
LDB: TIME 194.647 LOAD: AVG 45.6379 MAX 46.0758 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: TIME 194.647 LOAD: AVG 45.6379 MAX 46.0758 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.23 MB
LDB: ============== END OF LOAD BALANCING =============== 194.648
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.648
Info: Benchmark time: 4 CPUs 0.460696 s/step 5.33213 days/ns 3224.23 MB memory
TIMING: 400 CPU: 188.719, 0.460622/step Wall: 188.719, 0.460622/step, 0.012795 hours remaining, 3224.226562 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 416 19942.3167 20661.9895 5710.0857 195.6954 -336157.5859 23063.1718 0.0000 0.0000 44200.2846 -222384.0423 160.7885 -266584.3269 -222052.9646 160.7885 -282.7611 -2224.6895 921491.4634 -282.7611 -2224.6895
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ENERGY: 418 20154.6647 20457.0906 5705.5847 188.6537 -336970.7865 23098.6728 0.0000 0.0000 44915.1419 -222450.9780 163.3889 -267366.1199 -222046.7095 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
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TIMING: 420 CPU: 197.901, 0.459098/step Wall: 197.901, 0.459098/step, 0.0102022 hours remaining, 3224.226562 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 19598.5314 19595.2899 5707.1504 168.7509 -335498.4322 23074.5005 0.0000 0.0000 44915.2777 -222438.9313 163.3894 -267354.2090 -222048.7341 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4227 19760.4172 5710.4628 168.5259 -336199.9855 23087.7675 0.0000 0.0000 44884.2596 -222448.1297 163.2766 -267332.3893 -222058.0549 163.2766 -935.5733 -2206.9585 921491.4634 -935.5733 -2206.9585
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3741 5712.1700 168.1897 -338096.9209 23149.4491 0.0000 0.0000 44626.3102 -222402.4406 162.3383 -267028.7508 -222047.3915 162.3383 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
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ENERGY: 432 21768.3703 20188.6727 5710.3547 168.1086 -338651.2104 23176.0843 0.0000 0.0000 45177.9913 -222461.6286 164.3451 -267639.6199 -222065.9059 164.3451 -3350.2743 -2296.1499 921491.4634 -3350.2743 -2296.1499
ENERGY: 433 21200.9071 20275.9665 5710.3763 168.4633 -338164.0639 23162.2908 0.0000 0.0000 45192.9287 -222453.1312 164.3995 -267646.0600 -222052.5983 164.3995 -3187.3734 -2272.1277 921491.4634 -3187.3734 -2272.1277
ENERGY: 434 20730.3411 20338.1499 5711.6061 169.3247 -337394.2704 23140.7732 0.0000 0.0000 44883.1002 -222420.9753 163.2724 -267304.0755 -222051.1464 163.2724 -2694.3108 -2227.7886 921491.4634 -2694.3108 -2227.7886
ENERGY: 435 20235.2198 20362.4013 5714.0003 170.8455 -336680.6554 23123.4094 0.0000 0.0000 44675.9845 -222398.7946 162.5190 -267074.7791 -222049.5890 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9241 20349.9978 5717.2345 173.0864 -336303.8810 23119.9074 0.0000 0.0000 44847.0989 -222425.6318 163.1414 -267272.7308 -222059.6960 163.1414 -1520.6599 -2145.1618 921491.4634 -1520.6599 -2145.1618
ENERGY: 437 19434.5516 20329.5088 5720.9894 175.9827 -336411.9782 23136.3864 0.0000 0.0000 45159.2692 -222455.2902 164.2770 -267614.5594 -222050.7504 164.2770 -1319.1170 -2134.4850 921491.4634 -1319.1170 -2134.4850
ENERGY: 438 19935.1533 20278.6090 5724.6884 179.3848 -336899.4573 23173.5516 0.0000 0.0000 45148.1328 -222459.9375 164.2365 -267608.0702 -222051.5669 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 207.075, 0.458731/step Wall: 207.075, 0.458731/step, 0.00764552 hours remaining, 3224.226562 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 22071.5684 20036.2366 5729.7527 186.7201 -338123.1805 23276.2482 0.0000 0.0000 44417.5461 -222405.1083 161.5788 -266822.6544 -222059.4776 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5486 19860.0404 5730.3488 190.1145 -338361.1712 23313.2041 0.0000 0.0000 44502.6965 -222409.2183 161.8886 -266911.9148 -222050.0864 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6117 19664.5344 5729.4854 192.9411 -338090.1529 23327.1564 0.0000 0.0000 44880.6320 -222441.7917 163.2634 -267322.4237 -222049.7759 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3314 19487.0718 5727.6164 194.9329 -337369.3146 23320.0154 0.0000 0.0000 45118.1108 -222457.2358 164.1273 -267575.3465 -222048.6000 164.1273 -2448.1649 -2220.3532 921491.4634 -2448.1649 -2220.3532
ENERGY: 444 20449.3361 19357.2686 5725.4095 195.8735 -336464.1916 23301.5272 0.0000 0.0000 44987.7178 -222447.0590 163.6530 -267434.7767 -222057.9799 163.6530 -2090.2099 -2206.4400 921491.4634 -2090.2099 -2206.4400
ENERGY: 445 20125.5606 19307.2514 5723.6513 195.6942 -335759.3909 23283.8135 0.0000 0.0000 44708.7155 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6804 19324.9004 5722.5430 194.3235 -335494.5706 23276.0447 0.0000 0.0000 44620.2945 -222408.7841 162.3164 -267029.0786 -222046.1622 162.3164 -1800.7518 -2216.7294 921491.4634 -1800.7518 -2216.7294
ENERGY: 447 19914.2849 19416.0210 5722.2107 191.8641 -335769.4400 23282.7454 0.0000 0.0000 44816.5087 -222425.8052 163.0301 -267242.3139 -222046.8345 163.0301 -1993.3113 -2253.0604 921491.4634 -1993.3113 -2253.0604
ENERGY: 448 20187.5923 19583.6801 5722.5764 188.5554 -336503.1804 23303.8900 0.0000 0.0000 45065.6673 -222451.2188 163.9365 -267516.8861 -222059.3483 163.9365 -2372.1880 -2303.7900 921491.4634 -2372.1880 -2303.7900
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1303 5724.4776 181.0897 -338419.3255 23364.6239 0.0000 0.0000 44854.3096 -222432.2089 163.1677 -267286.5185 -222048.7863 163.1677 -3116.6759 -2394.3898 921491.4634 -3116.6759 -2394.3898
ENERGY: 451 22355.5902 20357.7258 5724.7144 177.6517 -338952.0914 23381.8003 0.0000 0.0000 44542.6987 -222411.9103 162.0341 -266954.6090 -222048.8249 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2015 20536.0137 5723.8953 174.8859 -338927.1542 23378.0940 0.0000 0.0000 44452.9197 -222415.1442 161.7075 -266868.0638 -222059.6372 161.7075 -2659.9607 -2384.7569 921491.4634 -2659.9607 -2384.7569
ENERGY: 453 21399.8725 20641.1313 5722.2878 173.1350 -338392.7938 23354.5904 0.0000 0.0000 44683.7035 -222418.0732 162.5470 -267101.7767 -222043.5374 162.5470 -2048.3339 -2342.4669 921491.4634 -2048.3339 -2342.4669
ENERGY: 454 20248.3380 20654.1375 5720.2217 172.3637 -337567.1418 23320.6899 0.0000 0.0000 45008.1467 -222443.2444 163.7273 -267451.3911 -222041.8393 163.7273 -1453.4579 -2293.1451 921491.4634 -1453.4579 -2293.1451
ENERGY: 455 19486.7906 20584.7120 5718.4844 172.5169 -336790.6456 23290.4021 0.0000 0.0000 45086.5790 -222451.1605 164.0126 -267537.7396 -222040.8572 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3722 20440.6800 5717.7556 173.4248 -336350.1079 23274.9629 0.0000 0.0000 44811.4727 -222438.4397 163.0118 -267249.9124 -222055.3488 163.0118 -1305.5004 -2245.5824 921491.4634 -1305.5004 -2245.5824
ENERGY: 457 20047.4929 20251.9434 5718.5580 174.9241 -336395.8167 23277.8273 0.0000 0.0000 44521.8706 -222403.2004 161.9583 -266925.0710 -222049.4135 161.9583 -1906.4166 -2263.5014 921491.4634 -1906.4166 -2263.5014
ENERGY: 458 20585.8435 20019.2722 5720.7061 176.6081 -336835.0961 23294.7172 0.0000 0.0000 44632.7889 -222405.1601 162.3618 -267037.9490 -222051.2824 162.3618 -2684.6989 -2301.0428 921491.4634 -2684.6989 -2301.0428
ENERGY: 459 20903.4946 19784.9688 5724.0021 178.1985 -337468.1645 23318.6982 0.0000 0.0000 45113.9368 -222444.8654 164.1121 -267558.8022 -222053.1413 164.1121 -3350.5835 -2341.5797 921491.4634 -3350.5835 -2341.5797
TIMING: 460 CPU: 216.249, 0.458691/step Wall: 216.249, 0.458691/step, 0.00509656 hours remaining, 3224.226562 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 19597.9062 5728.0971 179.4910 -338014.3766 23341.8001 0.0000 0.0000 45423.8565 -222480.6117 165.2395 -267904.4682 -222064.6836 165.2395 -3669.8204 -2365.2413 921491.4634 -3669.8204 -2365.2413
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ENERGY: 462 22264.2257 19487.8107 5736.4822 180.9531 -337988.7168 23351.1086 0.0000 0.0000 44559.9290 -222408.2075 162.0968 -266968.1364 -222056.7214 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1791 19513.9014 5738.9361 181.1160 -337284.1026 23326.9478 0.0000 0.0000 44313.4569 -222388.5653 161.2002 -266702.0222 -222054.6242 161.2002 -2012.4423 -2264.0778 921491.4634 -2012.4423 -2264.0778
ENERGY: 464 20535.2459 19559.9272 5739.2518 181.0096 -336389.3839 23291.1943 0.0000 0.0000 44654.0265 -222428.7287 162.4391 -267082.7552 -222058.5731 162.4391 -1050.9225 -2205.5268 921491.4634 -1050.9225 -2205.5268
ENERGY: 465 19322.7826 19631.8855 5737.2898 180.7155 -335701.1533 23259.7393 0.0000 0.0000 45094.5684 -222474.1722 164.0416 -267568.7407 -222052.9391 164.0416 -512.3344 -2174.4008 921491.4634 -512.3344 -2174.4008
ENERGY: 466 19088.4510 19708.3583 5733.2107 180.2808 -335443.7725 23245.0606 0.0000 0.0000 45020.7903 -222467.6209 163.7733 -267488.4112 -222052.9788 163.7733 -630.3312 -2182.6710 921491.4634 -630.3312 -2182.6710
ENERGY: 467 19841.8070 19783.1745 5727.6704 179.7757 -335721.0952 23249.4532 0.0000 0.0000 44523.6659 -222415.5485 161.9649 -266939.2144 -222054.3497 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8482 19845.4946 5721.5089 179.2779 -336451.5668 23265.8128 0.0000 0.0000 44291.6579 -222385.9666 161.1209 -266677.6245 -222056.3594 161.1209 -2508.6716 -2314.1341 921491.4634 -2508.6716 -2314.1341
ENERGY: 469 21236.3016 19910.2025 5715.6824 178.8504 -337458.3205 23284.3964 0.0000 0.0000 44720.3196 -222412.5675 162.6802 -267132.8872 -222046.0753 162.6802 -3596.7409 -2405.7973 921491.4634 -3596.7409 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8938 5710.9491 178.5947 -338383.2511 23297.0675 0.0000 0.0000 45346.4568 -222466.1159 164.9579 -267812.5728 -222047.6092 164.9579 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8679 20054.6837 5707.9626 178.5890 -338913.2455 23297.5088 0.0000 0.0000 45471.3361 -222470.2973 165.4122 -267941.6334 -222047.5362 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2361 20161.5553 5707.0091 178.9047 -338870.6769 23279.4495 0.0000 0.0000 45028.5292 -222433.9931 163.8014 -267462.5223 -222059.5060 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1361 20289.3426 5707.9843 179.6165 -338307.7192 23240.7367 0.0000 0.0000 44634.5169 -222389.3861 162.3681 -267023.9030 -222043.8541 162.3681 -2556.3615 -2408.1657 921491.4634 -2556.3615 -2408.1657
ENERGY: 474 20842.9702 20372.0985 5710.2160 180.7466 -337438.4552 23189.2352 0.0000 0.0000 44733.2303 -222409.9584 162.7272 -267143.1887 -222041.2622 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
ENERGY: 475 19674.2078 20371.7672 5712.9876 182.2512 -336604.2313 23142.3822 0.0000 0.0000 45070.2135 -222450.4218 163.9530 -267520.6353 -222039.4532 163.9530 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7861 20282.0272 5715.7683 184.0125 -336100.0904 23115.8471 0.0000 0.0000 45106.0629 -222460.5863 164.0835 -267566.6492 -222053.6139 164.0835 -92.4047 -2183.0651 921491.4634 -92.4047 -2183.0651
ENERGY: 477 19704.7250 20145.9811 5718.4976 185.9230 -336101.8791 23114.2944 0.0000 0.0000 44812.3204 -222420.1376 163.0149 -267232.4580 -222044.8413 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4038 23131.2465 0.0000 0.0000 44627.0328 -222402.1316 162.3409 -267029.1645 -222047.4108 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3059 19793.3955 5723.3295 189.2099 -337215.5841 23156.6776 0.0000 0.0000 44802.1574 -222425.5084 162.9779 -267227.6658 -222050.5462 162.9779 -3089.8516 -2246.7916 921491.4634 -3089.8516 -2246.7916
TIMING: 480 CPU: 225.417, 0.458381/step Wall: 225.417, 0.458381/step, 0.00254656 hours remaining, 3224.226562 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 21624.0328 19623.1963 5725.3111 190.1900 -337854.6787 23181.5122 0.0000 0.0000 45051.6810 -222458.7552 163.8856 -267510.4363 -222064.6212 163.8856 -4077.7326 -2291.4889 921491.4634 -4077.7326 -2291.4889
ENERGY: 481 22092.4855 19510.0433 5727.0952 190.6351 -338199.2483 23196.7963 0.0000 0.0000 45041.3364 -222440.8566 163.8480 -267482.1929 -222052.5268 163.8480 -4466.2393 -2305.6730 921491.4634 -4466.2393 -2305.6730
ENERGY: 482 22186.3468 19466.6794 5728.4963 190.3598 -338044.5420 23192.7478 0.0000 0.0000 44865.8516 -222414.0603 163.2096 -267279.9119 -222051.4115 163.2096 -4059.3096 -2278.0613 921491.4634 -4059.3096 -2278.0613
ENERGY: 483 21553.1413 19511.5745 5729.5660 189.3227 -337426.2187 23165.8743 0.0000 0.0000 44861.8966 -222414.8432 163.1953 -267276.7399 -222048.7675 163.1953 -2964.1719 -2216.4114 921491.4634 -2964.1719 -2216.4114
ENERGY: 484 20460.8924 19631.1940 5730.2465 187.5455 -336590.8885 23126.1354 0.0000 0.0000 45003.6028 -222451.2719 163.7107 -267454.8747 -222059.8744 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7719 19800.2993 5730.5256 185.2458 -335902.5867 23092.8473 0.0000 0.0000 44955.5721 -222449.3248 163.5360 -267404.8969 -222045.9608 163.5360 -422.1567 -2086.8736 921491.4634 -422.1567 -2086.8736
ENERGY: 486 19602.5426 19954.8177 5729.7197 182.4662 -335612.3569 23080.3810 0.0000 0.0000 44645.9113 -222416.5184 162.4096 -267062.4297 -222044.6762 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0925 20072.0214 5727.4347 179.4360 -335846.4484 23091.0546 0.0000 0.0000 44503.3490 -222392.0601 161.8910 -266895.4092 -222045.2409 161.8910 -192.2346 -2106.8840 921491.4634 -192.2346 -2106.8840
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5454 23118.8618 0.0000 0.0000 44827.0554 -222425.3042 163.0685 -267252.3597 -222057.1940 163.0685 -1145.7533 -2194.6679 921491.4634 -1145.7533 -2194.6679
ENERGY: 489 20526.8873 20236.4609 5718.5748 173.8639 -337540.4658 23156.7312 0.0000 0.0000 45266.1002 -222461.8474 164.6656 -267727.9476 -222045.6087 164.6656 -2511.2405 -2316.7065 921491.4634 -2511.2405 -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 21410.7491 20292.9021 5712.8912 171.8438 -338458.1364 23196.4879 0.0000 0.0000 45213.5628 -222459.6994 164.4745 -267673.2622 -222048.2209 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4641 20312.1359 5707.3795 170.5404 -338984.5796 23226.0939 0.0000 0.0000 44733.0089 -222404.9569 162.7264 -267137.9658 -222049.4639 162.7264 -4629.6935 -2524.6214 921491.4634 -4629.6935 -2524.6214
ENERGY: 492 22612.9548 20289.6809 5702.9944 170.0208 -338937.5819 23232.7207 0.0000 0.0000 44542.1951 -222387.0153 162.0323 -266929.2104 -222060.3862 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2188 20260.7372 5700.7779 170.3200 -338358.0636 23214.0539 0.0000 0.0000 45033.8231 -222420.1328 163.8207 -267453.9559 -222046.5903 163.8207 -3796.3818 -2540.0995 921491.4634 -3796.3818 -2540.0995
ENERGY: 494 20068.3366 20225.0258 5700.9805 171.2193 -337454.3838 23183.0797 0.0000 0.0000 45622.2477 -222483.4941 165.9612 -268105.7418 -222044.0869 165.9612 -2500.8991 -2482.1068 921491.4634 -2500.8991 -2482.1068
ENERGY: 495 19383.2463 20186.8298 5703.5926 172.5416 -336566.9889 23159.4627 0.0000 0.0000 45484.1232 -222477.1927 165.4587 -267961.3159 -222041.5565 165.4587 -1249.6835 -2407.3055 921491.4634 -1249.6835 -2407.3055
ENERGY: 496 19722.4834 20130.6470 5708.0350 174.0933 -335998.7159 23154.2638 0.0000 0.0000 44699.5272 -222409.6662 162.6046 -267109.1934 -222049.0672 162.6046 -478.8995 -2343.4749 921491.4634 -478.8995 -2343.4749
ENERGY: 497 20212.6667 20059.9174 5713.4613 175.7242 -335952.5047 23166.3549 0.0000 0.0000 44261.0291 -222363.3512 161.0095 -266624.3804 -222042.7502 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0164 19957.1214 5718.5596 177.2604 -336366.4940 23189.3589 0.0000 0.0000 44728.2538 -222413.9235 162.7091 -267142.1773 -222044.5221 162.7091 -993.4678 -2331.6471 921491.4634 -993.4678 -2331.6471
ENERGY: 499 20158.0679 19847.7308 5722.4089 178.6361 -337058.4833 23219.2408 0.0000 0.0000 45439.2647 -222493.1341 165.2956 -267932.3988 -222047.2064 165.2956 -2020.8687 -2376.3389 921491.4634 -2020.8687 -2376.3389
Info: Benchmark time: 4 CPUs 0.45792 s/step 5.29999 days/ns 3224.23 MB memory
TIMING: 500 CPU: 234.511, 0.454704/step Wall: 234.511, 0.454704/step, 0 hours remaining, 3224.226562 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 20974.8938 19756.6585 5724.4523 179.8271 -337741.4202 23251.1013 0.0000 0.0000 45359.0780 -222495.4092 165.0039 -267854.4873 -222061.0911 165.0039 -3197.5168 -2425.4141 921491.4634 -3197.5168 -2425.4141
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.480 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.480 MB of memory in use
====================================================
WallClock: 241.328522 CPUTime: 241.328506 Memory: 3229.480469 MB
[Partition 0][Node 0] End of program
Application 1111839 resources: utime ~948s, stime ~19s, Rss ~127108, inblocks ~66664, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.328522
CPU=241.328506
MEM=3229.480469
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 10:53 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 10:53 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 10:53 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 10:52 status
-rwxr-xr-x 1 bwjenkins BW_System 189490 Dec 20 10:52 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 20 10:47 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 10:47 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 10:37 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 10:21 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/jenkins12440817501179876723.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}
