Skipping 712 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 ============== 54.2873
LDB: Largest compute 200 load 0.429612 is 1.2% of average load 36.800029
LDB: Average compute 0.051555 is 0.1% of average load 36.800029
LDB: Partitioning computes with target load 3.680003
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055967
LDB: ============== END OF LOAD BALANCING =============== 54.2893
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2902
Info: Initial time: 4 CPUs 0.474138 s/step 5.48771 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.3896, 0.473336/step Wall: 48.3896, 0.473336/step, 0.0525929 hours remaining, 3221.589844 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 ============== 63.7355
LDB: ============== END OF LOAD BALANCING =============== 63.7355
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.736
TIMING: 120 CPU: 57.8322, 0.472128/step Wall: 57.8322, 0.472128/step, 0.0498357 hours remaining, 3221.800781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 140 CPU: 67.2719, 0.471986/step Wall: 67.2719, 0.471986/step, 0.0471986 hours remaining, 3221.945312 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: 76.699, 0.471356/step Wall: 76.699, 0.471356/step, 0.0445169 hours remaining, 3222.230469 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: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6962 -222309.0505 156.4429 -265314.7466 -222160.7801 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1567 -222149.7708 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -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: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2978 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2257 -2665.7683 921491.4634 -2936.2257 -2665.7683
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TIMING: 180 CPU: 86.1131, 0.470707/step Wall: 86.1131, 0.470707/step, 0.0418406 hours remaining, 3222.230469 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 -332240.0939 21043.7459 0.0000 0.0000 44391.5887 -222435.3694 161.4844 -266826.9581 -222129.2890 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1128 21076.9265 0.0000 0.0000 42449.0056 -222222.0804 154.4178 -264671.0860 -222130.9083 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: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2733 21129.4588 0.0000 0.0000 42574.3655 -222242.4589 154.8738 -264816.8244 -222086.7182 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0061 18800.3006 5711.3574 186.3640 -333385.5000 21161.1533 0.0000 0.0000 43911.2864 -222391.0322 159.7372 -266302.3187 -222090.4393 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.433
LDB: Largest compute 200 load 0.425232 is 1.2% of average load 36.620966
LDB: Average compute 0.051300 is 0.1% of average load 36.620966
LDB: TIME 101.435 LOAD: AVG 36.621 MAX 37.6967 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.61 MB
LDB: TIME 101.437 LOAD: AVG 36.621 MAX 37.5063 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.61 MB
LDB: ============== END OF LOAD BALANCING =============== 101.439
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.442
Info: Initial time: 4 CPUs 0.471331 s/step 5.45522 days/ns 3223.27 MB memory
TIMING: 200 CPU: 95.5324, 0.470965/step Wall: 95.5324, 0.470965/step, 0.0392471 hours remaining, 3223.265625 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 21073.6839 18595.6350 5711.8747 190.0258 -334670.2813 21209.9248 0.0000 0.0000 45319.1600 -222569.9771 164.8586 -267889.1371 -222114.5244 164.8586 -5241.8527 -2703.6813 921491.4634 -5241.8527 -2703.6813
ENERGY: 201 23380.1031 18674.3334 5716.2802 191.4189 -334751.7133 21239.1341 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4436 -222100.1078 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8451 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9372 21215.8254 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4530 -222116.7003 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0790 19868.9414 5735.7153 189.6741 -332398.2551 21197.9186 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9267 -222099.8062 162.5725 731.8537 -2447.6353 921491.4634 731.8537 -2447.6353
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ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6914 -222226.4461 153.3072 -264370.1375 -222103.0934 153.3072 -1896.3478 -2585.9682 921491.4634 -1896.3478 -2585.9682
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6271 -222472.1865 161.6191 -266900.8136 -222122.6314 161.6191 -3669.0642 -2719.7951 921491.4634 -3669.0642 -2719.7951
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7275 -2836.6305 921491.4634 -5197.7275 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1737 20194.2568 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4334 -222516.0281 164.6123 -267767.4615 -222108.2016 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1930 19985.8631 5704.9373 176.9105 -336667.8928 21415.1477 0.0000 0.0000 43031.7285 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6229 21412.5983 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6445 21380.5552 0.0000 0.0000 45418.7806 -222504.4449 165.2210 -267923.2255 -222097.3837 165.2210 -2174.3117 -2725.0842 921491.4634 -2174.3117 -2725.0842
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3938 21358.4486 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6684 -2626.0579 921491.4634 -143.6684 -2626.0579
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3324 21379.5597 0.0000 0.0000 45302.6745 -222527.8919 164.7987 -267830.5664 -222091.0449 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 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 19581.4821 5762.2416 182.5517 -333010.6759 21497.2706 0.0000 0.0000 41983.6751 -222225.0682 152.7251 -264208.7433 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1149 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0653 -2703.9746 921491.4634 -2628.0653 -2703.9746
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TIMING: 220 CPU: 104.944, 0.470559/step Wall: 104.944, 0.470559/step, 0.0365991 hours remaining, 3223.265625 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: 114.347, 0.470168/step Wall: 114.347, 0.470168/step, 0.0339565 hours remaining, 3223.406250 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 19462.3620 19969.6444 5749.3614 168.8705 -335233.7069 21770.4748 0.0000 0.0000 45537.0690 -222575.9247 165.6513 -268112.9937 -222061.6676 165.6513 -3760.4505 -2614.6993 921491.4634 -3760.4505 -2614.6993
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7772 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
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ENERGY: 246 20878.5479 19853.7023 5716.8932 174.1558 -334213.1206 21705.0851 0.0000 0.0000 43600.4183 -222284.3180 158.6063 -265884.7362 -222067.4297 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1843 21719.8455 0.0000 0.0000 44912.1912 -222431.6939 163.3782 -267343.8851 -222068.1395 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1355 21746.4311 0.0000 0.0000 46185.9361 -222595.6867 168.0117 -268781.6228 -222090.3129 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -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: 253 19499.8637 19667.1123 5729.5496 195.2411 -334977.1809 21784.0537 0.0000 0.0000 45520.0191 -222581.3414 165.5893 -268101.3606 -222082.7208 165.5893 -3300.1272 -2735.8132 921491.4634 -3300.1272 -2735.8132
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ENERGY: 255 20324.2310 19109.4102 5707.6062 196.0620 -333099.9235 21746.1515 0.0000 0.0000 43667.4211 -222349.0413 158.8501 -266016.4624 -222078.3978 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4408 18950.9579 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5652 18878.1874 5681.1759 194.7976 -333481.0040 21780.2419 0.0000 0.0000 44488.5468 -222428.4892 161.8371 -266917.0360 -222060.1685 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2576 -222556.7763 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.742, 0.469734/step Wall: 123.742, 0.469734/step, 0.0313156 hours remaining, 3223.761719 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: 262 21606.2723 19814.6776 5694.0656 188.7122 -336291.7858 21947.6074 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4324 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9712 21924.4740 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2260 20436.4304 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4782 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6242 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6374 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7897 20788.8700 5712.1327 187.6137 -334399.4577 21914.4805 0.0000 0.0000 43399.3797 -222348.1913 157.8750 -265747.5710 -222054.3635 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4856 21930.8374 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7451 21959.1257 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8301 -222075.9876 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -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 22620.1933 19450.9168 5690.3173 187.1618 -336650.6777 22028.8070 0.0000 0.0000 44308.0075 -222365.2739 161.1804 -266673.2814 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5583 18896.0662 5692.8269 184.9335 -335921.4615 22015.0580 0.0000 0.0000 45607.7076 -222503.3110 165.9083 -268111.0186 -222081.1572 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7160 -222499.9696 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8500 19594.7508 5701.2546 182.4904 -333292.1280 21971.0409 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2972 19724.7160 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7759 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2538 -222463.7061 161.9961 -266995.9600 -222063.4131 161.9961 -3254.8158 -2593.7696 921491.4634 -3254.8158 -2593.7696
ENERGY: 279 21984.3651 19593.9430 5677.5176 184.5187 -335888.5799 22096.4199 0.0000 0.0000 43975.0878 -222376.7279 159.9693 -266351.8157 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.126, 0.469237/step Wall: 133.126, 0.469237/step, 0.0286756 hours remaining, 3223.761719 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 19615.5378 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3368 -222526.2579 166.6927 -268349.5947 -222063.3317 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6613 5678.8137 187.1634 -336251.9199 22171.0648 0.0000 0.0000 45328.8517 -222487.2588 164.8939 -267816.1106 -222060.8461 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
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ENERGY: 285 20203.3286 20789.9628 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2629 -222354.5547 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8230 -334658.1149 22176.6863 0.0000 0.0000 43785.6881 -222425.2214 159.2803 -266210.9095 -222054.0584 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7823 5731.9346 184.4714 -334918.1481 22200.2910 0.0000 0.0000 44282.9436 -222485.6061 161.0892 -266768.5497 -222055.7255 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
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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 ============== 148.431
LDB: Largest compute 200 load 0.520991 is 1.1% of average load 45.767144
LDB: Average compute 0.064097 is 0.1% of average load 45.767144
LDB: TIME 148.433 LOAD: AVG 45.7671 MAX 46.976 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.22 MB
LDB: TIME 148.434 LOAD: AVG 45.7671 MAX 46.976 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.22 MB
LDB: TIME 148.437 LOAD: AVG 45.7671 MAX 46.1666 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: ============== END OF LOAD BALANCING =============== 148.438
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.439
Info: Initial time: 4 CPUs 0.469605 s/step 5.43524 days/ns 3224.22 MB memory
TIMING: 300 CPU: 142.501, 0.468745/step Wall: 142.501, 0.468745/step, 0.0260414 hours remaining, 3224.218750 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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TIMING: 320 CPU: 151.703, 0.460105/step Wall: 151.703, 0.460105/step, 0.0230052 hours remaining, 3224.218750 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: 338 21007.5747 19722.4642 5687.5590 179.5437 -335808.8618 22564.1943 0.0000 0.0000 44285.9173 -222361.6088 161.1000 -266647.5260 -222041.5957 161.1000 -1500.9500 -2462.8576 921491.4634 -1500.9500 -2462.8576
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TIMING: 340 CPU: 160.902, 0.459915/step Wall: 160.902, 0.459915/step, 0.0204407 hours remaining, 3224.218750 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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TIMING: 360 CPU: 170.096, 0.45973/step Wall: 170.096, 0.45973/step, 0.0178784 hours remaining, 3224.218750 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: 376 19884.0273 19962.1762 5703.2010 181.1433 -335321.8631 22772.8698 0.0000 0.0000 44434.3279 -222384.1176 161.6399 -266818.4455 -222050.5530 161.6399 -874.6222 -2439.6904 921491.4634 -874.6222 -2439.6904
ENERGY: 377 20646.4610 20251.1592 5706.5521 182.3248 -335763.5802 22794.3770 0.0000 0.0000 43848.2757 -222334.4303 159.5080 -266182.7060 -222041.4013 159.5080 -1819.5859 -2472.4987 921491.4634 -1819.5859 -2472.4987
ENERGY: 378 20473.8102 20495.6594 5711.4639 183.2952 -336584.2279 22821.5834 0.0000 0.0000 44474.7539 -222423.6621 161.7869 -266898.4160 -222044.3967 161.7869 -2972.9875 -2523.3500 921491.4634 -2972.9875 -2523.3500
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TIMING: 380 CPU: 179.282, 0.459305/step Wall: 179.282, 0.459305/step, 0.0153102 hours remaining, 3224.218750 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: 384 19625.4113 19596.0352 5710.5349 179.0647 -336052.0487 22884.2531 0.0000 0.0000 45539.1834 -222517.5659 165.6590 -268056.7494 -222062.0927 165.6590 -569.2379 -2166.9359 921491.4634 -569.2379 -2166.9359
ENERGY: 385 19327.8181 19356.8911 5707.7751 177.4354 -335210.6402 22871.6141 0.0000 0.0000 45299.7173 -222469.3891 164.7879 -267769.1063 -222051.0994 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2275 19220.9464 5707.6637 175.9385 -334865.1819 22880.7955 0.0000 0.0000 44519.8587 -222378.7517 161.9510 -266898.6104 -222051.0439 161.9510 122.6669 -2011.2429 921491.4634 122.6669 -2011.2429
ENERGY: 387 20367.2863 19202.4844 5710.9354 174.6759 -335109.8728 22905.2742 0.0000 0.0000 44377.1816 -222372.0350 161.4320 -266749.2166 -222053.0051 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3989 19280.0167 5717.2934 173.7038 -335824.1520 22938.2898 0.0000 0.0000 44972.7761 -222459.6732 163.5986 -267432.4493 -222067.4818 163.5986 -2063.8556 -2076.2821 921491.4634 -2063.8556 -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: 397 19906.7787 20200.7711 5721.4919 176.2273 -336102.8177 22990.0375 0.0000 0.0000 44712.8672 -222394.6442 162.6531 -267107.5113 -222042.6600 162.6531 -376.0863 -2327.2101 921491.4634 -376.0863 -2327.2101
ENERGY: 398 19692.8118 20133.3592 5716.9814 176.0456 -336812.3381 23014.0585 0.0000 0.0000 45592.7319 -222486.3496 165.8538 -268079.0815 -222045.7223 165.8538 -1710.2238 -2443.6965 921491.4634 -1710.2238 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.409
LDB: Largest compute 230 load 0.522808 is 1.1% of average load 45.692283
LDB: Average compute 0.063980 is 0.1% of average load 45.692283
LDB: TIME 194.411 LOAD: AVG 45.6923 MAX 45.97 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.22 MB
LDB: TIME 194.412 LOAD: AVG 45.6923 MAX 45.97 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: TIME 194.412 LOAD: AVG 45.6923 MAX 45.97 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.22 MB
LDB: ============== END OF LOAD BALANCING =============== 194.412
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.413
Info: Benchmark time: 4 CPUs 0.459635 s/step 5.31985 days/ns 3224.22 MB memory
TIMING: 400 CPU: 188.469, 0.459315/step Wall: 188.469, 0.459315/step, 0.0127588 hours remaining, 3224.218750 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: 402 22444.0480 19835.9108 5715.8942 173.8391 -338107.6286 23109.6379 0.0000 0.0000 44436.8095 -222391.4891 161.6489 -266828.2986 -222049.2227 161.6489 -4939.3793 -2681.7024 921491.4634 -4939.3793 -2681.7024
ENERGY: 403 20784.9694 19778.4827 5715.7218 174.2695 -337239.9783 23077.8403 0.0000 0.0000 45225.5960 -222483.0985 164.5183 -267708.6945 -222046.6855 164.5183 -3613.5976 -2605.7428 921491.4634 -3613.5976 -2605.7428
ENERGY: 404 19687.5953 19735.4027 5713.8114 175.5084 -336169.1139 23038.2902 0.0000 0.0000 45313.8391 -222504.6669 164.8393 -267818.5060 -222060.2371 164.8393 -1967.0744 -2494.0438 921491.4634 -1967.0744 -2494.0438
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ENERGY: 408 19735.8473 19387.6643 5692.2152 187.5226 -335902.8224 23017.8176 0.0000 0.0000 45394.4120 -222487.3434 165.1324 -267881.7554 -222063.5313 165.1324 -920.8283 -2294.1556 921491.4634 -920.8283 -2294.1556
ENERGY: 409 20350.1190 19376.4607 5688.4775 191.1593 -336896.6853 23057.9925 0.0000 0.0000 45733.6058 -222498.8705 166.3663 -268232.4763 -222051.6706 166.3663 -2367.4922 -2346.9325 921491.4634 -2367.4922 -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: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5324 23125.1119 0.0000 0.0000 45113.2144 -222465.8869 164.1095 -267579.1014 -222055.3453 164.1095 -3850.6268 -2398.9549 921491.4634 -3850.6268 -2398.9549
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ENERGY: 415 19745.2666 20572.1260 5708.7452 198.1487 -336456.1979 23071.1995 0.0000 0.0000 44733.2276 -222427.4845 162.7272 -267160.7120 -222049.0346 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3170 20661.9897 5710.0857 195.6953 -336157.5869 23063.1718 0.0000 0.0000 44200.2852 -222384.0422 160.7885 -266584.3274 -222052.9645 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3751 20631.3211 5709.0494 192.4696 -336373.1084 23072.1102 0.0000 0.0000 44338.4621 -222398.3210 161.2911 -266736.7831 -222044.6994 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6651 20457.0911 5705.5847 188.6536 -336970.7877 23098.6729 0.0000 0.0000 44915.1425 -222450.9779 163.3889 -267366.1204 -222046.7093 163.3889 -671.8548 -2269.9921 921491.4634 -671.8548 -2269.9921
ENERGY: 419 20790.7634 20185.5525 5700.4810 184.6054 -337717.8767 23139.8026 0.0000 0.0000 45250.3104 -222466.3614 164.6082 -267716.6717 -222049.5951 164.6082 -1783.9423 -2336.6464 921491.4634 -1783.9423 -2336.6464
TIMING: 420 CPU: 197.628, 0.457949/step Wall: 197.628, 0.457949/step, 0.0101767 hours remaining, 3224.218750 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: 423 21418.8986 19324.4273 5689.6736 172.2145 -337416.8964 23180.6043 0.0000 0.0000 45183.9716 -222447.1065 164.3669 -267631.0781 -222051.5234 164.3669 -3955.8305 -2434.9305 921491.4634 -3955.8305 -2434.9305
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ENERGY: 427 19598.5318 19595.2897 5707.1504 168.7509 -335498.4328 23074.5010 0.0000 0.0000 44915.2776 -222438.9313 163.3894 -267354.2089 -222048.7341 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4231 19760.4169 5710.4628 168.5259 -336199.9861 23087.7681 0.0000 0.0000 44884.2595 -222448.1298 163.2766 -267332.3893 -222058.0551 163.2766 -935.5732 -2206.9583 921491.4634 -935.5732 -2206.9583
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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 22013.9874 20024.3735 5712.1700 168.1897 -338096.9210 23149.4497 0.0000 0.0000 44626.3099 -222402.4408 162.3383 -267028.7507 -222047.3916 162.3383 -2472.2457 -2268.0463 921491.4634 -2472.2457 -2268.0463
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ENERGY: 432 21768.3705 20188.6723 5710.3547 168.1086 -338651.2105 23176.0849 0.0000 0.0000 45177.9907 -222461.6289 164.3451 -267639.6196 -222065.9062 164.3451 -3350.2740 -2296.1496 921491.4634 -3350.2740 -2296.1496
ENERGY: 433 21200.9073 20275.9663 5710.3763 168.4633 -338164.0640 23162.2914 0.0000 0.0000 45192.9280 -222453.1315 164.3995 -267646.0594 -222052.5986 164.3995 -3187.3731 -2272.1275 921491.4634 -3187.3731 -2272.1275
ENERGY: 434 20730.3413 20338.1500 5711.6061 169.3247 -337394.2706 23140.7738 0.0000 0.0000 44883.0993 -222420.9755 163.2724 -267304.0748 -222051.1466 163.2724 -2694.3105 -2227.7884 921491.4634 -2694.3105 -2227.7884
ENERGY: 435 20235.2201 20362.4016 5714.0003 170.8455 -336680.6557 23123.4100 0.0000 0.0000 44675.9834 -222398.7948 162.5189 -267074.7782 -222049.5892 162.5189 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
ENERGY: 436 19670.9243 20349.9983 5717.2345 173.0864 -336303.8813 23119.9080 0.0000 0.0000 44847.0979 -222425.6320 163.1414 -267272.7298 -222059.6962 163.1414 -1520.6596 -2145.1616 921491.4634 -1520.6596 -2145.1616
ENERGY: 437 19434.5517 20329.5093 5720.9894 175.9827 -336411.9787 23136.3870 0.0000 0.0000 45159.2682 -222455.2903 164.2770 -267614.5586 -222050.7505 164.2770 -1319.1168 -2134.4847 921491.4634 -1319.1168 -2134.4847
ENERGY: 438 19935.1533 20278.6096 5724.6884 179.3848 -336899.4579 23173.5521 0.0000 0.0000 45148.1320 -222459.9376 164.2365 -267608.0697 -222051.5671 164.2365 -1493.0941 -2145.0880 921491.4634 -1493.0941 -2145.0880
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TIMING: 440 CPU: 206.781, 0.45766/step Wall: 206.781, 0.45766/step, 0.00762766 hours remaining, 3224.218750 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
ENERGY: 440 22071.5684 20036.2371 5729.7527 186.7201 -338123.1812 23276.2487 0.0000 0.0000 44417.5459 -222405.1083 161.5788 -266822.6542 -222059.4777 161.5788 -2408.4613 -2197.9671 921491.4634 -2408.4613 -2197.9671
ENERGY: 441 22355.5487 19860.0408 5730.3488 190.1145 -338361.1721 23313.2046 0.0000 0.0000 44502.6965 -222409.2183 161.8886 -266911.9148 -222050.0864 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6119 19664.5348 5729.4854 192.9411 -338090.1539 23327.1569 0.0000 0.0000 44880.6320 -222441.7918 163.2634 -267322.4238 -222049.7759 163.2634 -2710.5577 -2229.0697 921491.4634 -2710.5577 -2229.0697
ENERGY: 443 21064.3318 19487.0721 5727.6164 194.9329 -337369.3157 23320.0159 0.0000 0.0000 45118.1107 -222457.2358 164.1273 -267575.3466 -222048.6000 164.1273 -2448.1649 -2220.3531 921491.4634 -2448.1649 -2220.3531
ENERGY: 444 20449.3365 19357.2689 5725.4095 195.8735 -336464.1927 23301.5277 0.0000 0.0000 44987.7177 -222447.0590 163.6530 -267434.7767 -222057.9799 163.6530 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5609 19307.2516 5723.6513 195.6942 -335759.3918 23283.8139 0.0000 0.0000 44708.7156 -222414.7043 162.6380 -267123.4199 -222046.5430 162.6380 -1846.9626 -2201.6925 921491.4634 -1846.9626 -2201.6925
ENERGY: 446 19947.6805 19324.9004 5722.5429 194.3235 -335494.5712 23276.0452 0.0000 0.0000 44620.2946 -222408.7841 162.3164 -267029.0787 -222046.1622 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2849 19416.0208 5722.2107 191.8642 -335769.4404 23282.7459 0.0000 0.0000 44816.5089 -222425.8052 163.0301 -267242.3141 -222046.8345 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5922 19583.6798 5722.5764 188.5554 -336503.1805 23303.8905 0.0000 0.0000 45065.6675 -222451.2187 163.9365 -267516.8862 -222059.3482 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
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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 20108.1298 5724.4776 181.0898 -338419.3255 23364.6244 0.0000 0.0000 44854.3098 -222432.2088 163.1677 -267286.5186 -222048.7862 163.1677 -3116.6756 -2394.3895 921491.4634 -3116.6756 -2394.3895
ENERGY: 451 22355.5903 20357.7254 5724.7144 177.6517 -338952.0914 23381.8008 0.0000 0.0000 44542.6987 -222411.9102 162.0341 -266954.6089 -222048.8247 162.0341 -3074.2533 -2405.7797 921491.4634 -3074.2533 -2405.7797
ENERGY: 452 22246.2016 20536.0134 5723.8953 174.8859 -338927.1545 23378.0945 0.0000 0.0000 44452.9195 -222415.1442 161.7075 -266868.0637 -222059.6373 161.7075 -2659.9607 -2384.7568 921491.4634 -2659.9607 -2384.7568
ENERGY: 453 21399.8728 20641.1312 5722.2878 173.1350 -338392.7941 23354.5909 0.0000 0.0000 44683.7031 -222418.0732 162.5470 -267101.7764 -222043.5374 162.5470 -2048.3339 -2342.4668 921491.4634 -2048.3339 -2342.4668
ENERGY: 454 20248.3381 20654.1376 5720.2217 172.3637 -337567.1421 23320.6904 0.0000 0.0000 45008.1462 -222443.2444 163.7273 -267451.3906 -222041.8393 163.7273 -1453.4578 -2293.1450 921491.4634 -1453.4578 -2293.1450
ENERGY: 455 19486.7906 20584.7123 5718.4844 172.5169 -336790.6458 23290.4026 0.0000 0.0000 45086.5785 -222451.1605 164.0126 -267537.7391 -222040.8572 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3720 20440.6803 5717.7556 173.4248 -336350.1080 23274.9634 0.0000 0.0000 44811.4723 -222438.4397 163.0118 -267249.9119 -222055.3487 163.0118 -1305.5001 -2245.5822 921491.4634 -1305.5001 -2245.5822
ENERGY: 457 20047.4929 20251.9436 5718.5580 174.9241 -336395.8170 23277.8278 0.0000 0.0000 44521.8702 -222403.2004 161.9583 -266925.0706 -222049.4134 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8436 20019.2723 5720.7061 176.6081 -336835.0965 23294.7176 0.0000 0.0000 44632.7887 -222405.1601 162.3618 -267037.9488 -222051.2824 162.3618 -2684.6986 -2301.0425 921491.4634 -2684.6986 -2301.0425
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TIMING: 460 CPU: 215.923, 0.457119/step Wall: 215.923, 0.457119/step, 0.0050791 hours remaining, 3224.218750 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
ENERGY: 460 21262.6140 19597.9062 5728.0971 179.4910 -338014.3774 23341.8005 0.0000 0.0000 45423.8567 -222480.6119 165.2395 -267904.4685 -222064.6838 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
ENERGY: 461 21862.8764 19507.1073 5732.5753 180.4333 -338251.6222 23355.3939 0.0000 0.0000 45154.6138 -222458.6222 164.2601 -267613.2360 -222058.0509 164.2601 -3556.1667 -2361.1799 921491.4634 -3556.1667 -2361.1799
ENERGY: 462 22264.2257 19487.8107 5736.4822 180.9531 -337988.7175 23351.1090 0.0000 0.0000 44559.9291 -222408.2076 162.0968 -266968.1367 -222056.7216 162.0968 -2954.8200 -2323.4250 921491.4634 -2954.8200 -2323.4250
ENERGY: 463 21821.1792 19513.9014 5738.9361 181.1160 -337284.1033 23326.9481 0.0000 0.0000 44313.4570 -222388.5654 161.2002 -266702.0225 -222054.6244 161.2002 -2012.4423 -2264.0777 921491.4634 -2012.4423 -2264.0777
ENERGY: 464 20535.2459 19559.9271 5739.2518 181.0096 -336389.3847 23291.1946 0.0000 0.0000 44654.0268 -222428.7288 162.4391 -267082.7556 -222058.5733 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7826 19631.8853 5737.2899 180.7155 -335701.1541 23259.7396 0.0000 0.0000 45094.5690 -222474.1723 164.0416 -267568.7413 -222052.9391 164.0416 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4511 19708.3580 5733.2107 180.2808 -335443.7735 23245.0608 0.0000 0.0000 45020.7910 -222467.6210 163.7733 -267488.4120 -222052.9789 163.7733 -630.3313 -2182.6711 921491.4634 -630.3313 -2182.6711
ENERGY: 467 19841.8073 19783.1742 5727.6704 179.7757 -335721.0963 23249.4534 0.0000 0.0000 44523.6667 -222415.5486 161.9649 -266939.2153 -222054.3498 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8485 19845.4942 5721.5089 179.2779 -336451.5681 23265.8130 0.0000 0.0000 44291.6588 -222385.9667 161.1209 -266677.6255 -222056.3595 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3018 19910.2022 5715.6824 178.8504 -337458.3220 23284.3967 0.0000 0.0000 44720.3207 -222412.5677 162.6802 -267132.8884 -222046.0755 162.6802 -3596.7408 -2405.7973 921491.4634 -3596.7408 -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 21411.1733 19972.8936 5710.9491 178.5947 -338383.2527 23297.0678 0.0000 0.0000 45346.4580 -222466.1161 164.9580 -267812.5741 -222047.6093 164.9580 -4259.6998 -2477.6832 921491.4634 -4259.6998 -2477.6832
ENERGY: 471 21732.8681 20054.6838 5707.9626 178.5890 -338913.2472 23297.5091 0.0000 0.0000 45471.3371 -222470.2975 165.4122 -267941.6346 -222047.5364 165.4122 -4290.5686 -2504.3176 921491.4634 -4290.5686 -2504.3176
ENERGY: 472 22081.2365 20161.5555 5707.0091 178.9047 -338870.6783 23279.4497 0.0000 0.0000 45028.5299 -222433.9930 163.8014 -267462.5229 -222059.5059 163.8014 -3659.7361 -2479.9183 921491.4634 -3659.7361 -2479.9183
ENERGY: 473 21866.1364 20289.3429 5707.9843 179.6165 -338307.7205 23240.7369 0.0000 0.0000 44634.5175 -222389.3860 162.3681 -267023.9035 -222043.8540 162.3681 -2556.3615 -2408.1657 921491.4634 -2556.3615 -2408.1657
ENERGY: 474 20842.9704 20372.0988 5710.2160 180.7466 -337438.4564 23189.2354 0.0000 0.0000 44733.2309 -222409.9582 162.7272 -267143.1892 -222041.2620 162.7272 -1295.5523 -2316.2728 921491.4634 -1295.5523 -2316.2728
ENERGY: 475 19674.2079 20371.7675 5712.9876 182.2512 -336604.2323 23142.3823 0.0000 0.0000 45070.2141 -222450.4217 163.9531 -267520.6358 -222039.4531 163.9531 -344.6446 -2232.2125 921491.4634 -344.6446 -2232.2125
ENERGY: 476 19235.7862 20282.0274 5715.7683 184.0125 -336100.0913 23115.8472 0.0000 0.0000 45106.0634 -222460.5863 164.0835 -267566.6497 -222053.6139 164.0835 -92.4047 -2183.0652 921491.4634 -92.4047 -2183.0652
ENERGY: 477 19704.7252 20145.9812 5718.4976 185.9230 -336101.8799 23114.2945 0.0000 0.0000 44812.3207 -222420.1376 163.0149 -267232.4584 -222044.8413 163.0149 -667.4944 -2171.8227 921491.4634 -667.4944 -2171.8227
ENERGY: 478 20493.4779 19974.7636 5721.0254 187.7262 -336537.4044 23131.2466 0.0000 0.0000 44627.0331 -222402.1316 162.3409 -267029.1647 -222047.4109 162.3409 -1807.1603 -2198.7955 921491.4634 -1807.1603 -2198.7955
ENERGY: 479 21125.3060 19793.3953 5723.3295 189.2099 -337215.5845 23156.6777 0.0000 0.0000 44802.1576 -222425.5085 162.9779 -267227.6660 -222050.5462 162.9779 -3089.8516 -2246.7916 921491.4634 -3089.8516 -2246.7916
TIMING: 480 CPU: 225.062, 0.45692/step Wall: 225.062, 0.45692/step, 0.00253844 hours remaining, 3224.218750 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
ENERGY: 480 21624.0329 19623.1962 5725.3111 190.1900 -337854.6794 23181.5123 0.0000 0.0000 45051.6812 -222458.7557 163.8856 -267510.4369 -222064.6217 163.8856 -4077.7328 -2291.4892 921491.4634 -4077.7328 -2291.4892
ENERGY: 481 22092.4855 19510.0431 5727.0953 190.6351 -338199.2488 23196.7963 0.0000 0.0000 45041.3364 -222440.8570 163.8480 -267482.1934 -222052.5272 163.8480 -4466.2396 -2305.6733 921491.4634 -4466.2396 -2305.6733
ENERGY: 482 22186.3469 19466.6793 5728.4964 190.3598 -338044.5423 23192.7478 0.0000 0.0000 44865.8515 -222414.0607 163.2096 -267279.9122 -222051.4119 163.2096 -4059.3099 -2278.0616 921491.4634 -4059.3099 -2278.0616
ENERGY: 483 21553.1414 19511.5744 5729.5660 189.3227 -337426.2189 23165.8744 0.0000 0.0000 44861.8964 -222414.8436 163.1952 -267276.7401 -222048.7679 163.1952 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8925 19631.1938 5730.2465 187.5455 -336590.8880 23126.1354 0.0000 0.0000 45003.6028 -222451.2715 163.7107 -267454.8744 -222059.8740 163.7107 -1565.2421 -2143.1848 921491.4634 -1565.2421 -2143.1848
ENERGY: 485 19688.7719 19800.2990 5730.5256 185.2458 -335902.5863 23092.8473 0.0000 0.0000 44955.5723 -222449.3244 163.5360 -267404.8967 -222045.9604 163.5360 -422.1566 -2086.8734 921491.4634 -422.1566 -2086.8734
ENERGY: 486 19602.5426 19954.8175 5729.7198 182.4662 -335612.3566 23080.3810 0.0000 0.0000 44645.9115 -222416.5180 162.4096 -267062.4295 -222044.6758 162.4096 87.3184 -2070.0981 921491.4634 87.3184 -2070.0981
ENERGY: 487 19881.0926 20072.0213 5727.4348 179.4360 -335846.4483 23091.0546 0.0000 0.0000 44503.3493 -222392.0597 161.8910 -266895.4090 -222045.2405 161.8910 -192.2345 -2106.8839 921491.4634 -192.2345 -2106.8839
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5458 23118.8618 0.0000 0.0000 44827.0557 -222425.3041 163.0685 -267252.3598 -222057.1939 163.0685 -1145.7535 -2194.6680 921491.4634 -1145.7535 -2194.6680
ENERGY: 489 20526.8873 20236.4611 5718.5749 173.8639 -337540.4663 23156.7312 0.0000 0.0000 45266.1006 -222461.8473 164.6656 -267727.9479 -222045.6086 164.6656 -2511.2406 -2316.7067 921491.4634 -2511.2406 -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 21410.7492 20292.9024 5712.8912 171.8438 -338458.1369 23196.4879 0.0000 0.0000 45213.5630 -222459.6993 164.4745 -267673.2624 -222048.2208 164.4745 -3823.4041 -2437.4155 921491.4634 -3823.4041 -2437.4155
ENERGY: 491 22430.4643 20312.1363 5707.3795 170.5404 -338984.5801 23226.0938 0.0000 0.0000 44733.0090 -222404.9568 162.7264 -267137.9658 -222049.4638 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9549 20289.6813 5702.9945 170.0208 -338937.5825 23232.7206 0.0000 0.0000 44542.1951 -222387.0153 162.0323 -266929.2104 -222060.3863 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2188 20260.7376 5700.7779 170.3201 -338358.0641 23214.0538 0.0000 0.0000 45033.8231 -222420.1328 163.8207 -267453.9559 -222046.5903 163.8207 -3796.3820 -2540.0998 921491.4634 -3796.3820 -2540.0998
ENERGY: 494 20068.3365 20225.0262 5700.9806 171.2193 -337454.3841 23183.0797 0.0000 0.0000 45622.2478 -222483.4941 165.9612 -268105.7419 -222044.0869 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2461 20186.8301 5703.5926 172.5416 -336566.9892 23159.4627 0.0000 0.0000 45484.1233 -222477.1927 165.4587 -267961.3160 -222041.5565 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4833 20130.6472 5708.0350 174.0933 -335998.7158 23154.2638 0.0000 0.0000 44699.5271 -222409.6660 162.6046 -267109.1931 -222049.0670 162.6046 -478.8996 -2343.4750 921491.4634 -478.8996 -2343.4750
ENERGY: 497 20212.6669 20059.9175 5713.4613 175.7242 -335952.5046 23166.3548 0.0000 0.0000 44261.0288 -222363.3511 161.0095 -266624.3799 -222042.7500 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0167 19957.1214 5718.5597 177.2604 -336366.4938 23189.3588 0.0000 0.0000 44728.2534 -222413.9234 162.7091 -267142.1768 -222044.5220 162.7091 -993.4679 -2331.6472 921491.4634 -993.4679 -2331.6472
ENERGY: 499 20158.0681 19847.7306 5722.4090 178.6361 -337058.4829 23219.2408 0.0000 0.0000 45439.2644 -222493.1339 165.2956 -267932.3983 -222047.2062 165.2956 -2020.8688 -2376.3390 921491.4634 -2020.8688 -2376.3390
Info: Benchmark time: 4 CPUs 0.456605 s/step 5.28478 days/ns 3224.22 MB memory
TIMING: 500 CPU: 234.129, 0.453383/step Wall: 234.129, 0.453383/step, 0 hours remaining, 3224.218750 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
ENERGY: 500 20974.8940 19756.6582 5724.4523 179.8271 -337741.4200 23251.1012 0.0000 0.0000 45359.0777 -222495.4094 165.0039 -267854.4871 -222061.0912 165.0039 -3197.5169 -2425.4142 921491.4634 -3197.5169 -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, 3229.477 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.477 MB of memory in use
====================================================
WallClock: 240.963547 CPUTime: 240.963547 Memory: 3229.476562 MB
[Partition 0][Node 0] End of program
Application 102586533 resources: utime ~948s, stime ~18s, Rss ~127008, inblocks ~67176, outblocks ~72240
Displaying status file:
verified
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins1411388201409228031.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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