Skipping 716 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.3143
LDB: Largest compute 200 load 0.428926 is 1.2% of average load 36.847163
LDB: Average compute 0.051625 is 0.1% of average load 36.847163
LDB: Partitioning computes with target load 3.684716
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055541
LDB: ============== END OF LOAD BALANCING =============== 54.3164
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3173
Info: Initial time: 4 CPUs 0.474617 s/step 5.49325 days/ns 3221.57 MB memory
TIMING: 100 CPU: 48.4333, 0.473673/step Wall: 48.4333, 0.473673/step, 0.0526303 hours remaining, 3221.574219 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 ============== 63.7723
LDB: ============== END OF LOAD BALANCING =============== 63.7724
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7728
TIMING: 120 CPU: 57.8867, 0.47267/step Wall: 57.8867, 0.47267/step, 0.0498929 hours remaining, 3221.781250 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3351, 0.472421/step Wall: 67.3351, 0.472421/step, 0.0472421 hours remaining, 3222.007812 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: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1141 -222153.2664 162.2665 -4472.9374 -2881.9211 921491.4634 -4472.9374 -2881.9211
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ENERGY: 158 21695.0846 19425.3239 5743.5667 171.3409 -332829.8099 20761.5805 0.0000 0.0000 42713.6820 -222319.2313 155.3806 -265032.9133 -222157.3218 155.3806 -715.5935 -2586.7969 921491.4634 -715.5935 -2586.7969
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TIMING: 160 CPU: 76.7704, 0.471763/step Wall: 76.7704, 0.471763/step, 0.0445554 hours remaining, 3222.218750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2411 20981.6518 0.0000 0.0000 42714.2626 -222252.6195 155.3827 -264966.8821 -222125.5136 155.3827 -2870.6844 -2681.8089 921491.4634 -2870.6844 -2681.8089
ENERGY: 178 21917.7900 18733.9559 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.1954, 0.471249/step Wall: 86.1954, 0.471249/step, 0.0418888 hours remaining, 3222.218750 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5889 -222435.3689 161.4844 -266826.9577 -222129.2885 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0057 -222222.0798 154.4178 -264671.0855 -222130.9077 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 198 21224.0061 18800.3005 5711.3574 186.3640 -333385.4995 21161.1533 0.0000 0.0000 43911.2863 -222391.0318 159.7372 -266302.3182 -222090.4390 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.506
LDB: Largest compute 200 load 0.425629 is 1.2% of average load 36.665235
LDB: Average compute 0.051361 is 0.1% of average load 36.665235
LDB: TIME 101.508 LOAD: AVG 36.6652 MAX 37.7336 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.511 LOAD: AVG 36.6652 MAX 37.6009 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.512
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.516
Info: Initial time: 4 CPUs 0.471831 s/step 5.461 days/ns 3223.36 MB memory
TIMING: 200 CPU: 95.6263, 0.471545/step Wall: 95.6263, 0.471545/step, 0.0392954 hours remaining, 3223.355469 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: 220 CPU: 105.064, 0.471899/step Wall: 105.064, 0.471899/step, 0.0367032 hours remaining, 3223.355469 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: 114.495, 0.471547/step Wall: 114.495, 0.471547/step, 0.0340562 hours remaining, 3223.355469 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: 243 19462.3622 19969.6445 5749.3614 168.8705 -335233.7068 21770.4748 0.0000 0.0000 45537.0692 -222575.9243 165.6513 -268112.9934 -222061.6671 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 245 20148.2369 19811.7600 5725.7785 171.4559 -334087.5948 21701.2470 0.0000 0.0000 44168.5250 -222360.5916 160.6730 -266529.1166 -222068.6364 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5482 19853.7026 5716.8932 174.1558 -334213.1208 21705.0850 0.0000 0.0000 43600.4184 -222284.3177 158.6063 -265884.7360 -222067.4294 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6442 5712.7400 177.5412 -334802.1844 21719.8454 0.0000 0.0000 44912.1913 -222431.6935 163.3782 -267343.8848 -222068.1392 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4925 20164.4299 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 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: 256 20899.4410 18950.9577 5693.4518 195.6570 -332975.5972 21757.6848 0.0000 0.0000 43181.1612 -222297.2436 157.0812 -265478.4049 -222071.2738 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5654 18878.1872 5681.1759 194.7976 -333481.0038 21780.2420 0.0000 0.0000 44488.5468 -222428.4889 161.8371 -266917.0357 -222060.1682 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1543 21817.5078 0.0000 0.0000 45796.2578 -222556.7760 166.5942 -268353.0338 -222062.0606 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.916, 0.471062/step Wall: 123.916, 0.471062/step, 0.0314041 hours remaining, 3223.789062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1229 20140.5623 5703.8103 187.9445 -335614.9714 21924.4741 0.0000 0.0000 45349.7772 -222527.2802 164.9700 -267877.0574 -222051.1545 164.9700 -2647.8115 -2773.3902 921491.4634 -2647.8115 -2773.3902
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9513 21907.7773 0.0000 0.0000 44751.4785 -222476.8386 162.7936 -267228.3171 -222069.1980 162.7936 -2191.1927 -2723.5293 921491.4634 -2191.1927 -2723.5293
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ENERGY: 266 20048.7899 20788.8702 5712.1327 187.6137 -334399.4579 21914.4806 0.0000 0.0000 43399.3798 -222348.1909 157.8750 -265747.5707 -222054.3631 157.8750 -2130.7240 -2664.5955 921491.4634 -2130.7240 -2664.5955
ENERGY: 267 19648.0906 20691.2680 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2169 -222446.1642 160.8610 -266666.3812 -222055.6581 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9160 20375.7517 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5379 -222504.2922 163.0557 -267327.8300 -222075.9872 163.0557 -2903.2123 -2658.6180 921491.4634 -2903.2123 -2658.6180
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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 22620.1932 19450.9168 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0077 -222365.2736 161.1804 -266673.2813 -222067.0432 161.1804 -3583.3632 -2617.7582 921491.4634 -3583.3632 -2617.7582
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4616 22015.0582 0.0000 0.0000 45607.7077 -222503.3107 165.9083 -268111.0184 -222081.1568 165.9083 -2551.9683 -2501.8803 921491.4634 -2551.9683 -2501.8803
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7013 21985.5298 0.0000 0.0000 45502.7162 -222499.9692 165.5264 -268002.6854 -222069.0455 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 277 19149.2973 19724.7159 5695.5210 182.9396 -333864.3455 21997.2389 0.0000 0.0000 44632.8112 -222481.8216 162.3619 -267114.6328 -222061.0987 162.3619 -2311.7544 -2498.0545 921491.4634 -2311.7544 -2498.0545
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1005 22041.3361 0.0000 0.0000 44532.2541 -222463.7060 161.9961 -266995.9601 -222063.4130 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
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TIMING: 280 CPU: 133.323, 0.470326/step Wall: 133.323, 0.470326/step, 0.0287422 hours remaining, 3223.789062 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: 286 19396.6310 20966.5624 5721.5031 185.8229 -334658.1149 22176.6865 0.0000 0.0000 43785.6880 -222425.2209 159.2803 -266210.9089 -222054.0579 159.2803 -1306.7501 -2717.2846 921491.4634 -1306.7501 -2717.2846
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.63
LDB: Largest compute 200 load 0.522797 is 1.1% of average load 45.790381
LDB: Average compute 0.064150 is 0.1% of average load 45.790381
LDB: TIME 148.632 LOAD: AVG 45.7904 MAX 47.1146 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.21 MB
LDB: TIME 148.633 LOAD: AVG 45.7904 MAX 47.1146 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.21 MB
LDB: TIME 148.645 LOAD: AVG 45.7904 MAX 46.3052 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.21 MB
LDB: ============== END OF LOAD BALANCING =============== 148.646
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.647
Info: Initial time: 4 CPUs 0.470841 s/step 5.44955 days/ns 3224.21 MB memory
TIMING: 300 CPU: 142.728, 0.470249/step Wall: 142.728, 0.470249/step, 0.0261249 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 151.963, 0.461762/step Wall: 151.963, 0.461762/step, 0.0230881 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 161.193, 0.461487/step Wall: 161.193, 0.461487/step, 0.0205105 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 170.418, 0.461257/step Wall: 170.418, 0.461257/step, 0.0179378 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 365 18830.5840 19548.3418 5710.7559 180.6857 -335316.0964 22775.7827 0.0000 0.0000 45760.0891 -222509.8573 166.4626 -268269.9464 -222057.4399 166.4626 -1100.2606 -2433.4823 921491.4634 -1100.2606 -2433.4823
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ENERGY: 368 20561.5938 19748.2119 5739.6691 179.8275 -335728.0872 22808.6649 0.0000 0.0000 44272.8410 -222417.2789 161.0524 -266690.1200 -222068.2908 161.0524 -2928.4887 -2487.3071 921491.4634 -2928.4887 -2487.3071
ENERGY: 369 20346.9681 19812.6206 5741.6370 179.5048 -336580.3308 22825.3356 0.0000 0.0000 45155.6311 -222518.6336 164.2638 -267674.2647 -222061.0997 164.2638 -3666.9893 -2542.4575 921491.4634 -3666.9893 -2542.4575
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: 376 19884.0272 19962.1764 5703.2010 181.1433 -335321.8625 22772.8698 0.0000 0.0000 44434.3278 -222384.1169 161.6399 -266818.4447 -222050.5523 161.6399 -874.6220 -2439.6903 921491.4634 -874.6220 -2439.6903
ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5794 22794.3771 0.0000 0.0000 43848.2757 -222334.4296 159.5080 -266182.7053 -222041.4007 159.5080 -1819.5856 -2472.4986 921491.4634 -1819.5856 -2472.4986
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2271 22821.5834 0.0000 0.0000 44474.7538 -222423.6615 161.7869 -266898.4153 -222044.3961 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.636, 0.460893/step Wall: 179.636, 0.460893/step, 0.0153631 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 384 19625.4114 19596.0353 5710.5349 179.0647 -336052.0482 22884.2531 0.0000 0.0000 45539.1833 -222517.5655 165.6590 -268056.7488 -222062.0922 165.6590 -569.2379 -2166.9359 921491.4634 -569.2379 -2166.9359
ENERGY: 385 19327.8181 19356.8912 5707.7751 177.4354 -335210.6397 22871.6140 0.0000 0.0000 45299.7171 -222469.3886 164.7879 -267769.1058 -222051.0990 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2272 19220.9465 5707.6637 175.9385 -334865.1814 22880.7954 0.0000 0.0000 44519.8587 -222378.7513 161.9510 -266898.6100 -222051.0434 161.9510 122.6670 -2011.2429 921491.4634 122.6670 -2011.2429
ENERGY: 387 20367.2860 19202.4846 5710.9354 174.6759 -335109.8723 22905.2740 0.0000 0.0000 44377.1817 -222372.0346 161.4320 -266749.2163 -222053.0047 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3988 19280.0169 5717.2934 173.7038 -335824.1515 22938.2897 0.0000 0.0000 44972.7762 -222459.6726 163.5986 -267432.4488 -222067.4813 163.5986 -2063.8555 -2076.2822 921491.4634 -2063.8555 -2076.2822
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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: 397 19906.7784 20200.7712 5721.4919 176.2273 -336102.8173 22990.0372 0.0000 0.0000 44712.8677 -222394.6437 162.6531 -267107.5114 -222042.6595 162.6531 -376.0862 -2327.2103 921491.4634 -376.0862 -2327.2103
ENERGY: 398 19692.8117 20133.3592 5716.9814 176.0456 -336812.3378 23014.0583 0.0000 0.0000 45592.7324 -222486.3492 165.8538 -268079.0816 -222045.7218 165.8538 -1710.2237 -2443.6966 921491.4634 -1710.2237 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.777
LDB: Largest compute 230 load 0.524528 is 1.1% of average load 45.737157
LDB: Average compute 0.064054 is 0.1% of average load 45.737157
LDB: TIME 194.779 LOAD: AVG 45.7372 MAX 46.1295 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.21 MB
LDB: TIME 194.779 LOAD: AVG 45.7372 MAX 46.1295 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.21 MB
LDB: TIME 194.779 LOAD: AVG 45.7372 MAX 46.1295 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.21 MB
LDB: ============== END OF LOAD BALANCING =============== 194.78
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.781
Info: Benchmark time: 4 CPUs 0.461232 s/step 5.33833 days/ns 3224.21 MB memory
TIMING: 400 CPU: 188.855, 0.460961/step Wall: 188.855, 0.460961/step, 0.0128045 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0482 19835.9106 5715.8942 173.8391 -338107.6285 23109.6377 0.0000 0.0000 44436.8103 -222391.4884 161.6489 -266828.2987 -222049.2219 161.6489 -4939.3796 -2681.7024 921491.4634 -4939.3796 -2681.7024
ENERGY: 403 20784.9696 19778.4826 5715.7218 174.2695 -337239.9782 23077.8401 0.0000 0.0000 45225.5967 -222483.0978 164.5183 -267708.6945 -222046.6847 164.5183 -3613.5978 -2605.7428 921491.4634 -3613.5978 -2605.7428
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ENERGY: 408 19735.8472 19387.6645 5692.2152 187.5226 -335902.8221 23017.8174 0.0000 0.0000 45394.4124 -222487.3427 165.1324 -267881.7551 -222063.5307 165.1324 -920.8280 -2294.1555 921491.4634 -920.8280 -2294.1555
ENERGY: 409 20350.1190 19376.4609 5688.4775 191.1593 -336896.6849 23057.9923 0.0000 0.0000 45733.6061 -222498.8699 166.3663 -268232.4759 -222051.6700 166.3663 -2367.4920 -2346.9324 921491.4634 -2367.4920 -2346.9324
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5213 19470.1804 5687.6649 194.4179 -337813.1848 23106.2030 0.0000 0.0000 45077.0717 -222427.1255 163.9780 -267504.1972 -222054.6422 163.9780 -3838.6212 -2402.0239 921491.4634 -3838.6212 -2402.0239
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ENERGY: 413 21130.1419 20138.5249 5699.9334 199.7191 -337872.5317 23125.1118 0.0000 0.0000 45113.2142 -222465.8864 164.1095 -267579.1006 -222055.3448 164.1095 -3850.6268 -2398.9547 921491.4634 -3850.6268 -2398.9547
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7794 23094.4560 0.0000 0.0000 45271.6526 -222483.1092 164.6858 -267754.7619 -222052.1618 164.6858 -2501.3239 -2333.9462 921491.4634 -2501.3239 -2333.9462
ENERGY: 415 19745.2665 20572.1259 5708.7452 198.1487 -336456.1967 23071.1993 0.0000 0.0000 44733.2272 -222427.4840 162.7272 -267160.7112 -222049.0341 162.7272 -1174.6449 -2266.5613 921491.4634 -1174.6449 -2266.5613
ENERGY: 416 19942.3168 20661.9896 5710.0857 195.6954 -336157.5856 23063.1717 0.0000 0.0000 44200.2848 -222384.0417 160.7885 -266584.3265 -222052.9640 160.7885 -282.7610 -2224.6896 921491.4634 -282.7610 -2224.6896
ENERGY: 417 20031.3749 20631.3209 5709.0493 192.4696 -336373.1069 23072.1101 0.0000 0.0000 44338.4617 -222398.3205 161.2911 -266736.7822 -222044.6989 161.2911 -112.4550 -2227.1698 921491.4634 -112.4550 -2227.1698
ENERGY: 418 20154.6649 20457.0908 5705.5847 188.6537 -336970.7862 23098.6728 0.0000 0.0000 44915.1420 -222450.9774 163.3889 -267366.1193 -222046.7089 163.3889 -671.8545 -2269.9920 921491.4634 -671.8545 -2269.9920
ENERGY: 419 20790.7632 20185.5523 5700.4810 184.6055 -337717.8752 23139.8025 0.0000 0.0000 45250.3099 -222466.3609 164.6082 -267716.6707 -222049.5946 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 198.044, 0.459445/step Wall: 198.044, 0.459445/step, 0.0102099 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 422 22275.7616 19449.5349 5688.9976 174.4058 -338225.0313 23208.5477 0.0000 0.0000 45004.7084 -222423.0754 163.7148 -267427.7837 -222052.8446 163.7148 -4363.1154 -2465.6373 921491.4634 -4363.1154 -2465.6373
ENERGY: 423 21418.8987 19324.4273 5689.6736 172.2146 -337416.8956 23180.6041 0.0000 0.0000 45183.9714 -222447.1060 164.3669 -267631.0773 -222051.5229 164.3669 -3955.8307 -2434.9306 921491.4634 -3955.8307 -2434.9306
ENERGY: 424 20531.3310 19270.7817 5692.6542 170.6563 -336406.2764 23140.4647 0.0000 0.0000 45151.0459 -222449.3426 164.2471 -267600.3886 -222060.4123 164.2471 -3030.1607 -2370.2032 921491.4634 -3030.1607 -2370.2032
ENERGY: 425 19942.3360 19314.5610 5697.3263 169.6877 -335607.5208 23103.7921 0.0000 0.0000 44956.0484 -222423.7693 163.5377 -267379.8177 -222050.7959 163.5377 -1980.9651 -2297.0089 921491.4634 -1980.9651 -2297.0089
ENERGY: 426 19603.3346 19432.3072 5702.4947 169.0990 -335270.6879 23080.2893 0.0000 0.0000 44862.7389 -222420.4242 163.1983 -267283.1630 -222049.1085 163.1983 -1125.8048 -2237.7214 921491.4634 -1125.8048 -2237.7214
ENERGY: 427 19598.5317 19595.2902 5707.1504 168.7509 -335498.4324 23074.5008 0.0000 0.0000 44915.2779 -222438.9306 163.3894 -267354.2084 -222048.7333 163.3894 -741.9007 -2207.6354 921491.4634 -741.9007 -2207.6354
ENERGY: 428 20140.4230 19760.4174 5710.4628 168.5259 -336199.9859 23087.7678 0.0000 0.0000 44884.2599 -222448.1291 163.2766 -267332.3890 -222058.0544 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 22013.9875 20024.3740 5712.1700 168.1897 -338096.9213 23149.4494 0.0000 0.0000 44626.3106 -222402.4401 162.3383 -267028.7507 -222047.3909 162.3383 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
ENERGY: 431 22204.1025 20111.4155 5711.2600 168.0704 -338644.7653 23172.3806 0.0000 0.0000 44858.4637 -222419.0726 163.1828 -267277.5363 -222048.7163 163.1828 -3116.2807 -2293.5591 921491.4634 -3116.2807 -2293.5591
ENERGY: 432 21768.3707 20188.6725 5710.3547 168.1086 -338651.2109 23176.0848 0.0000 0.0000 45177.9916 -222461.6281 164.3451 -267639.6196 -222065.9054 164.3451 -3350.2742 -2296.1496 921491.4634 -3350.2742 -2296.1496
ENERGY: 433 21200.9074 20275.9664 5710.3763 168.4633 -338164.0644 23162.2913 0.0000 0.0000 45192.9290 -222453.1307 164.3995 -267646.0597 -222052.5978 164.3995 -3187.3732 -2272.1275 921491.4634 -3187.3732 -2272.1275
ENERGY: 434 20730.3413 20338.1499 5711.6061 169.3247 -337394.2709 23140.7738 0.0000 0.0000 44883.1005 -222420.9747 163.2724 -267304.0752 -222051.1458 163.2724 -2694.3106 -2227.7883 921491.4634 -2694.3106 -2227.7883
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6559 23123.4101 0.0000 0.0000 44675.9846 -222398.7940 162.5190 -267074.7786 -222049.5884 162.5190 -2061.3579 -2179.8949 921491.4634 -2061.3579 -2179.8949
ENERGY: 436 19670.9243 20349.9981 5717.2345 173.0864 -336303.8817 23119.9082 0.0000 0.0000 44847.0990 -222425.6313 163.1414 -267272.7303 -222059.6955 163.1414 -1520.6595 -2145.1615 921491.4634 -1520.6595 -2145.1615
ENERGY: 437 19434.5517 20329.5091 5720.9893 175.9827 -336411.9790 23136.3872 0.0000 0.0000 45159.2693 -222455.2897 164.2770 -267614.5589 -222050.7499 164.2770 -1319.1166 -2134.4847 921491.4634 -1319.1166 -2134.4847
ENERGY: 438 19935.1534 20278.6094 5724.6884 179.3848 -336899.4583 23173.5524 0.0000 0.0000 45148.1329 -222459.9369 164.2365 -267608.0699 -222051.5664 164.2365 -1493.0939 -2145.0879 921491.4634 -1493.0939 -2145.0879
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TIMING: 440 CPU: 207.228, 0.459189/step Wall: 207.228, 0.459189/step, 0.00765315 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5686 20036.2370 5729.7527 186.7201 -338123.1818 23276.2492 0.0000 0.0000 44417.5465 -222405.1077 161.5788 -266822.6542 -222059.4771 161.5788 -2408.4612 -2197.9670 921491.4634 -2408.4612 -2197.9670
ENERGY: 441 22355.5489 19860.0407 5730.3488 190.1145 -338361.1728 23313.2052 0.0000 0.0000 44502.6969 -222409.2177 161.8886 -266911.9146 -222050.0858 161.8886 -2716.1028 -2221.5312 921491.4634 -2716.1028 -2221.5312
ENERGY: 442 21853.6121 19664.5348 5729.4854 192.9411 -338090.1547 23327.1576 0.0000 0.0000 44880.6325 -222441.7911 163.2634 -267322.4236 -222049.7753 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3318 19487.0722 5727.6164 194.9329 -337369.3164 23320.0166 0.0000 0.0000 45118.1113 -222457.2352 164.1273 -267575.3465 -222048.5994 164.1273 -2448.1647 -2220.3529 921491.4634 -2448.1647 -2220.3529
ENERGY: 444 20449.3364 19357.2690 5725.4095 195.8735 -336464.1936 23301.5285 0.0000 0.0000 44987.7182 -222447.0585 163.6530 -267434.7768 -222057.9795 163.6530 -2090.2097 -2206.4397 921491.4634 -2090.2097 -2206.4397
ENERGY: 445 20125.5609 19307.2518 5723.6513 195.6942 -335759.3928 23283.8147 0.0000 0.0000 44708.7159 -222414.7040 162.6380 -267123.4199 -222046.5426 162.6380 -1846.9623 -2201.6923 921491.4634 -1846.9623 -2201.6923
ENERGY: 446 19947.6807 19324.9006 5722.5430 194.3235 -335494.5722 23276.0460 0.0000 0.0000 44620.2948 -222408.7837 162.3164 -267029.0785 -222046.1618 162.3164 -1800.7515 -2216.7292 921491.4634 -1800.7515 -2216.7292
ENERGY: 447 19914.2851 19416.0211 5722.2107 191.8641 -335769.4414 23282.7467 0.0000 0.0000 44816.5090 -222425.8048 163.0301 -267242.3138 -222046.8341 163.0301 -1993.3109 -2253.0601 921491.4634 -1993.3109 -2253.0601
ENERGY: 448 20187.5923 19583.6801 5722.5764 188.5554 -336503.1813 23303.8913 0.0000 0.0000 45065.6677 -222451.2181 163.9365 -267516.8858 -222059.3476 163.9365 -2372.1875 -2303.7896 921491.4634 -2372.1875 -2303.7896
ENERGY: 449 20877.4061 19832.6986 5723.5712 184.8596 -337500.9084 23334.5932 0.0000 0.0000 45101.1682 -222446.6115 164.0657 -267547.7797 -222047.7095 164.0657 -2827.1079 -2356.1405 921491.4634 -2827.1079 -2356.1405
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4855 20108.1300 5724.4776 181.0897 -338419.3262 23364.6252 0.0000 0.0000 44854.3099 -222432.2082 163.1677 -267286.5181 -222048.7856 163.1677 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5905 20357.7254 5724.7144 177.6517 -338952.0920 23381.8017 0.0000 0.0000 44542.6988 -222411.9096 162.0341 -266954.6084 -222048.8241 162.0341 -3074.2532 -2405.7795 921491.4634 -3074.2532 -2405.7795
ENERGY: 452 22246.2018 20536.0133 5723.8953 174.8859 -338927.1548 23378.0953 0.0000 0.0000 44452.9196 -222415.1436 161.7075 -266868.0632 -222059.6366 161.7075 -2659.9605 -2384.7566 921491.4634 -2659.9605 -2384.7566
ENERGY: 453 21399.8727 20641.1310 5722.2878 173.1350 -338392.7942 23354.5917 0.0000 0.0000 44683.7033 -222418.0726 162.5470 -267101.7760 -222043.5368 162.5470 -2048.3337 -2342.4666 921491.4634 -2048.3337 -2342.4666
ENERGY: 454 20248.3381 20654.1373 5720.2217 172.3637 -337567.1421 23320.6911 0.0000 0.0000 45008.1464 -222443.2438 163.7273 -267451.3902 -222041.8387 163.7273 -1453.4577 -2293.1448 921491.4634 -1453.4577 -2293.1448
ENERGY: 455 19486.7907 20584.7119 5718.4844 172.5169 -336790.6457 23290.4033 0.0000 0.0000 45086.5786 -222451.1599 164.0126 -267537.7385 -222040.8566 164.0126 -1151.8821 -2255.8569 921491.4634 -1151.8821 -2255.8569
ENERGY: 456 19493.3722 20440.6799 5717.7556 173.4248 -336350.1077 23274.9640 0.0000 0.0000 44811.4721 -222438.4389 163.0118 -267249.9110 -222055.3480 163.0118 -1305.5000 -2245.5820 921491.4634 -1305.5000 -2245.5820
ENERGY: 457 20047.4930 20251.9433 5718.5580 174.9241 -336395.8165 23277.8283 0.0000 0.0000 44521.8701 -222403.1996 161.9583 -266925.0698 -222049.4126 161.9583 -1906.4160 -2263.5009 921491.4634 -1906.4160 -2263.5009
ENERGY: 458 20585.8435 20019.2721 5720.7061 176.6081 -336835.0959 23294.7181 0.0000 0.0000 44632.7887 -222405.1593 162.3618 -267037.9480 -222051.2816 162.3618 -2684.6983 -2301.0424 921491.4634 -2684.6983 -2301.0424
ENERGY: 459 20903.4946 19784.9688 5724.0021 178.1985 -337468.1645 23318.6991 0.0000 0.0000 45113.9367 -222444.8646 164.1121 -267558.8014 -222053.1405 164.1121 -3350.5829 -2341.5793 921491.4634 -3350.5829 -2341.5793
TIMING: 460 CPU: 216.402, 0.458705/step Wall: 216.402, 0.458705/step, 0.00509672 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6142 19597.9062 5728.0971 179.4910 -338014.3770 23341.8009 0.0000 0.0000 45423.8565 -222480.6110 165.2395 -267904.4676 -222064.6830 165.2395 -3669.8201 -2365.2410 921491.4634 -3669.8201 -2365.2410
ENERGY: 461 21862.8768 19507.1074 5732.5753 180.4333 -338251.6220 23355.3943 0.0000 0.0000 45154.6137 -222458.6213 164.2601 -267613.2350 -222058.0501 164.2601 -3556.1666 -2361.1797 921491.4634 -3556.1666 -2361.1797
ENERGY: 462 22264.2260 19487.8109 5736.4823 180.9531 -337988.7174 23351.1093 0.0000 0.0000 44559.9290 -222408.2068 162.0968 -266968.1359 -222056.7208 162.0968 -2954.8200 -2323.4248 921491.4634 -2954.8200 -2323.4248
ENERGY: 463 21821.1793 19513.9017 5738.9361 181.1160 -337284.1032 23326.9484 0.0000 0.0000 44313.4572 -222388.5646 161.2002 -266702.0218 -222054.6236 161.2002 -2012.4423 -2264.0776 921491.4634 -2012.4423 -2264.0776
ENERGY: 464 20535.2459 19559.9274 5739.2518 181.0096 -336389.3845 23291.1948 0.0000 0.0000 44654.0269 -222428.7281 162.4391 -267082.7550 -222058.5725 162.4391 -1050.9225 -2205.5267 921491.4634 -1050.9225 -2205.5267
ENERGY: 465 19322.7826 19631.8857 5737.2899 180.7155 -335701.1539 23259.7397 0.0000 0.0000 45094.5690 -222474.1716 164.0416 -267568.7406 -222052.9384 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4511 19708.3584 5733.2107 180.2808 -335443.7731 23245.0609 0.0000 0.0000 45020.7910 -222467.6202 163.7733 -267488.4112 -222052.9782 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8071 19783.1745 5727.6704 179.7757 -335721.0958 23249.4535 0.0000 0.0000 44523.6668 -222415.5479 161.9649 -266939.2147 -222054.3491 161.9649 -1393.6027 -2232.5923 921491.4634 -1393.6027 -2232.5923
ENERGY: 468 20761.8483 19845.4944 5721.5089 179.2779 -336451.5673 23265.8130 0.0000 0.0000 44291.6591 -222385.9657 161.1209 -266677.6248 -222056.3585 161.1209 -2508.6711 -2314.1338 921491.4634 -2508.6711 -2314.1338
ENERGY: 469 21236.3018 19910.2022 5715.6824 178.8504 -337458.3211 23284.3966 0.0000 0.0000 44720.3210 -222412.5667 162.6802 -267132.8877 -222046.0744 162.6802 -3596.7405 -2405.7970 921491.4634 -3596.7405 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1735 19972.8935 5710.9491 178.5947 -338383.2518 23297.0677 0.0000 0.0000 45346.4581 -222466.1151 164.9580 -267812.5732 -222047.6083 164.9580 -4259.6995 -2477.6829 921491.4634 -4259.6995 -2477.6829
ENERGY: 471 21732.8684 20054.6835 5707.9626 178.5890 -338913.2462 23297.5089 0.0000 0.0000 45471.3372 -222470.2965 165.4122 -267941.6337 -222047.5354 165.4122 -4290.5684 -2504.3174 921491.4634 -4290.5684 -2504.3174
ENERGY: 472 22081.2366 20161.5552 5707.0091 178.9047 -338870.6777 23279.4495 0.0000 0.0000 45028.5302 -222433.9925 163.8014 -267462.5226 -222059.5054 163.8014 -3659.7362 -2479.9183 921491.4634 -3659.7362 -2479.9183
ENERGY: 473 21866.1364 20289.3426 5707.9843 179.6165 -338307.7200 23240.7368 0.0000 0.0000 44634.5180 -222389.3855 162.3681 -267023.9035 -222043.8535 162.3681 -2556.3616 -2408.1657 921491.4634 -2556.3616 -2408.1657
ENERGY: 474 20842.9703 20372.0986 5710.2160 180.7466 -337438.4560 23189.2352 0.0000 0.0000 44733.2314 -222409.9578 162.7272 -267143.1891 -222041.2615 162.7272 -1295.5524 -2316.2728 921491.4634 -1295.5524 -2316.2728
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2320 23142.3822 0.0000 0.0000 45070.2144 -222450.4212 163.9531 -267520.6356 -222039.4526 163.9531 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7864 20282.0274 5715.7683 184.0125 -336100.0910 23115.8471 0.0000 0.0000 45106.0637 -222460.5856 164.0835 -267566.6493 -222053.6133 164.0835 -92.4046 -2183.0651 921491.4634 -92.4046 -2183.0651
ENERGY: 477 19704.7252 20145.9812 5718.4976 185.9230 -336101.8797 23114.2945 0.0000 0.0000 44812.3212 -222420.1370 163.0149 -267232.4582 -222044.8407 163.0149 -667.4943 -2171.8227 921491.4634 -667.4943 -2171.8227
ENERGY: 478 20493.4777 19974.7636 5721.0254 187.7262 -336537.4045 23131.2466 0.0000 0.0000 44627.0339 -222402.1310 162.3409 -267029.1649 -222047.4102 162.3409 -1807.1601 -2198.7954 921491.4634 -1807.1601 -2198.7954
ENERGY: 479 21125.3059 19793.3955 5723.3295 189.2099 -337215.5848 23156.6778 0.0000 0.0000 44802.1585 -222425.5078 162.9779 -267227.6664 -222050.5455 162.9779 -3089.8514 -2246.7916 921491.4634 -3089.8514 -2246.7916
TIMING: 480 CPU: 225.573, 0.458573/step Wall: 225.573, 0.458573/step, 0.00254763 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0330 19623.1964 5725.3111 190.1901 -337854.6796 23181.5124 0.0000 0.0000 45051.6820 -222458.7545 163.8856 -267510.4366 -222064.6205 163.8856 -4077.7327 -2291.4890 921491.4634 -4077.7327 -2291.4890
ENERGY: 481 22092.4859 19510.0434 5727.0952 190.6351 -338199.2491 23196.7965 0.0000 0.0000 45041.3371 -222440.8558 163.8480 -267482.1930 -222052.5261 163.8480 -4466.2395 -2305.6732 921491.4634 -4466.2395 -2305.6732
ENERGY: 482 22186.3472 19466.6796 5728.4964 190.3598 -338044.5429 23192.7481 0.0000 0.0000 44865.8522 -222414.0596 163.2096 -267279.9118 -222051.4108 163.2096 -4059.3099 -2278.0614 921491.4634 -4059.3099 -2278.0614
ENERGY: 483 21553.1415 19511.5748 5729.5660 189.3227 -337426.2195 23165.8747 0.0000 0.0000 44861.8973 -222414.8425 163.1953 -267276.7398 -222048.7667 163.1953 -2964.1722 -2216.4115 921491.4634 -2964.1722 -2216.4115
ENERGY: 484 20460.8926 19631.1943 5730.2465 187.5455 -336590.8893 23126.1358 0.0000 0.0000 45003.6034 -222451.2712 163.7107 -267454.8746 -222059.8737 163.7107 -1565.2423 -2143.1848 921491.4634 -1565.2423 -2143.1848
ENERGY: 485 19688.7722 19800.2995 5730.5256 185.2458 -335902.5874 23092.8477 0.0000 0.0000 44955.5726 -222449.3241 163.5360 -267404.8967 -222045.9601 163.5360 -422.1567 -2086.8735 921491.4634 -422.1567 -2086.8735
ENERGY: 486 19602.5429 19954.8179 5729.7198 182.4662 -335612.3576 23080.3815 0.0000 0.0000 44645.9116 -222416.5177 162.4096 -267062.4293 -222044.6755 162.4096 87.3183 -2070.0981 921491.4634 87.3183 -2070.0981
ENERGY: 487 19881.0928 20072.0215 5727.4347 179.4360 -335846.4489 23091.0552 0.0000 0.0000 44503.3493 -222392.0594 161.8910 -266895.4088 -222045.2402 161.8910 -192.2343 -2106.8839 921491.4634 -192.2343 -2106.8839
ENERGY: 488 20125.2099 20156.1363 5723.5441 176.4338 -336552.5461 23118.8624 0.0000 0.0000 44827.0559 -222425.3038 163.0685 -267252.3596 -222057.1935 163.0685 -1145.7532 -2194.6679 921491.4634 -1145.7532 -2194.6679
ENERGY: 489 20526.8872 20236.4610 5718.5748 173.8639 -337540.4664 23156.7318 0.0000 0.0000 45266.1006 -222461.8470 164.6656 -267727.9476 -222045.6082 164.6656 -2511.2404 -2316.7065 921491.4634 -2511.2404 -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 21410.7492 20292.9022 5712.8912 171.8438 -338458.1369 23196.4886 0.0000 0.0000 45213.5629 -222459.6990 164.4745 -267673.2618 -222048.2204 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4644 20312.1361 5707.3795 170.5404 -338984.5800 23226.0945 0.0000 0.0000 44733.0086 -222404.9565 162.7264 -267137.9651 -222049.4634 162.7264 -4629.6935 -2524.6213 921491.4634 -4629.6935 -2524.6213
ENERGY: 492 22612.9550 20289.6811 5702.9944 170.0208 -338937.5821 23232.7214 0.0000 0.0000 44542.1947 -222387.0147 162.0323 -266929.2094 -222060.3856 162.0323 -4606.8524 -2557.4728 921491.4634 -4606.8524 -2557.4728
ENERGY: 493 21558.2187 20260.7375 5700.7779 170.3200 -338358.0637 23214.0545 0.0000 0.0000 45033.8228 -222420.1322 163.8207 -267453.9550 -222046.5897 163.8207 -3796.3818 -2540.0994 921491.4634 -3796.3818 -2540.0994
ENERGY: 494 20068.3364 20225.0261 5700.9806 171.2193 -337454.3837 23183.0804 0.0000 0.0000 45622.2474 -222483.4936 165.9612 -268105.7409 -222044.0864 165.9612 -2500.8990 -2482.1066 921491.4634 -2500.8990 -2482.1066
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9888 23159.4634 0.0000 0.0000 45484.1229 -222477.1921 165.4587 -267961.3150 -222041.5559 165.4587 -1249.6833 -2407.3053 921491.4634 -1249.6833 -2407.3053
ENERGY: 496 19722.4834 20130.6472 5708.0350 174.0933 -335998.7158 23154.2645 0.0000 0.0000 44699.5268 -222409.6656 162.6046 -267109.1924 -222049.0666 162.6046 -478.8993 -2343.4748 921491.4634 -478.8993 -2343.4748
ENERGY: 497 20212.6668 20059.9175 5713.4613 175.7242 -335952.5046 23166.3555 0.0000 0.0000 44261.0288 -222363.3506 161.0095 -266624.3794 -222042.7496 161.0095 -421.0228 -2316.7925 921491.4634 -421.0228 -2316.7925
ENERGY: 498 20182.0165 19957.1215 5718.5597 177.2604 -336366.4940 23189.3595 0.0000 0.0000 44728.2536 -222413.9229 162.7091 -267142.1765 -222044.5215 162.7091 -993.4675 -2331.6470 921491.4634 -993.4675 -2331.6470
ENERGY: 499 20158.0679 19847.7309 5722.4090 178.6361 -337058.4834 23219.2414 0.0000 0.0000 45439.2646 -222493.1335 165.2956 -267932.3981 -222047.2058 165.2956 -2020.8685 -2376.3387 921491.4634 -2020.8685 -2376.3387
Info: Benchmark time: 4 CPUs 0.458147 s/step 5.30263 days/ns 3224.21 MB memory
TIMING: 500 CPU: 234.67, 0.45483/step Wall: 234.67, 0.45483/step, 0 hours remaining, 3224.207031 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8940 19756.6585 5724.4523 179.8271 -337741.4206 23251.1019 0.0000 0.0000 45359.0778 -222495.4088 165.0039 -267854.4867 -222061.0906 165.0039 -3197.5167 -2425.4139 921491.4634 -3197.5167 -2425.4139
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, 3229.465 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.465 MB of memory in use
====================================================
WallClock: 241.483429 CPUTime: 241.483429 Memory: 3229.464844 MB
[Partition 0][Node 0] End of program
Application 102652257 resources: utime ~949s, stime ~18s, Rss ~127204, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins3511577914525945724.sh
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
+ scp BW_REMOTE_2:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-h2ologin4/workspace/memory
Finished: SUCCESS
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