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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 ============== 54.5276
LDB: Largest compute 200 load 0.430522 is 1.2% of average load 36.811379
LDB: Average compute 0.051569 is 0.1% of average load 36.811379
LDB: Partitioning computes with target load 3.681138
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055579
LDB: ============== END OF LOAD BALANCING =============== 54.5298
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5307
Info: Initial time: 4 CPUs 0.4733 s/step 5.47801 days/ns 3221.53 MB memory
TIMING: 100 CPU: 48.3017, 0.472425/step Wall: 48.3017, 0.472425/step, 0.0524917 hours remaining, 3221.527344 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 ============== 63.9606
LDB: ============== END OF LOAD BALANCING =============== 63.9606
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9611
TIMING: 120 CPU: 57.7296, 0.471396/step Wall: 57.7296, 0.471396/step, 0.0497585 hours remaining, 3221.656250 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: 131 21530.9956 19804.6627 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7488 21006.3294 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3959 -222211.0694 157.6894 198.1851 -2776.3543 921491.4634 198.1851 -2776.3543
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.1526, 0.471148/step Wall: 67.1526, 0.471148/step, 0.0471148 hours remaining, 3221.968750 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: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9441 21127.4061 0.0000 0.0000 45144.2514 -222551.1431 164.2224 -267695.3945 -222224.0360 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
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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: 76.5648, 0.47061/step Wall: 76.5648, 0.47061/step, 0.0444465 hours remaining, 3222.097656 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 22512.8126 18508.1493 5697.2826 183.0024 -333202.6497 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4905 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8223 20884.6195 0.0000 0.0000 43005.6963 -222309.0504 156.4429 -265314.7467 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4180 19999.6888 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3352 -222325.8217 154.5754 -264818.1568 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9824 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9664, 0.470081/step Wall: 85.9664, 0.470081/step, 0.041785 hours remaining, 3222.238281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0935 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0056 -222222.0802 154.4178 -264671.0857 -222130.9080 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 21129.4587 0.0000 0.0000 42574.3655 -222242.4589 154.8738 -264816.8244 -222086.7182 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2865 -222391.0323 159.7372 -266302.3187 -222090.4394 159.7372 -4381.6808 -2646.7680 921491.4634 -4381.6808 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.598
LDB: Largest compute 200 load 0.425235 is 1.2% of average load 36.633064
LDB: Average compute 0.051306 is 0.1% of average load 36.633064
LDB: TIME 101.6 LOAD: AVG 36.6331 MAX 37.637 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.602 LOAD: AVG 36.6331 MAX 37.4991 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.604
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.607
Info: Initial time: 4 CPUs 0.470598 s/step 5.44674 days/ns 3223.29 MB memory
TIMING: 200 CPU: 95.3713, 0.470246/step Wall: 95.3713, 0.470246/step, 0.0391871 hours remaining, 3223.285156 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 21073.6837 18595.6349 5711.8747 190.0258 -334670.2810 21209.9247 0.0000 0.0000 45319.1601 -222569.9771 164.8586 -267889.1372 -222114.5244 164.8586 -5241.8526 -2703.6814 921491.4634 -5241.8526 -2703.6814
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ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5587 -222241.0646 154.3580 -264673.6234 -222096.8290 154.3580 -3005.0520 -2588.0014 921491.4634 -3005.0520 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8619 -222093.6426 160.2771 -1046.8259 -2512.4436 921491.4634 -1046.8259 -2512.4436
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2198 21188.8402 0.0000 0.0000 45629.4718 -222628.9811 165.9875 -268258.4529 -222116.7003 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9414 5735.7153 189.6742 -332398.2549 21197.9185 0.0000 0.0000 44690.7147 -222526.2118 162.5725 -267216.9265 -222099.8062 162.5725 731.8535 -2447.6353 921491.4634 731.8535 -2447.6353
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ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9789 21289.9000 0.0000 0.0000 42143.6914 -222226.4460 153.3072 -264370.1374 -222103.0934 153.3072 -1896.3477 -2585.9683 921491.4634 -1896.3477 -2585.9683
ENERGY: 208 20293.2702 20371.8901 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6271 -222472.1868 161.6191 -266900.8139 -222122.6317 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0056 5710.3389 180.5135 -335910.2413 21349.5043 0.0000 0.0000 46273.6801 -222642.3818 168.3309 -268916.0619 -222106.7903 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7769 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4619 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8630 5704.9373 176.9105 -336667.8929 21415.1476 0.0000 0.0000 43031.7285 -222254.1131 156.5376 -265285.8416 -222106.8544 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6227 21412.5982 0.0000 0.0000 42995.1638 -222249.7027 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2254 -222097.3836 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6588 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5662 -222091.0448 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 21436.4835 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5107 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3865 19581.4820 5762.2416 182.5517 -333010.6758 21497.2705 0.0000 0.0000 41983.6750 -222225.0685 152.7251 -264208.7435 -222064.4466 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1148 21546.6561 0.0000 0.0000 44178.6836 -222478.5363 160.7099 -266657.2199 -222068.8157 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
ENERGY: 219 19429.8640 19413.3930 5754.3577 187.2447 -334778.0709 21596.8808 0.0000 0.0000 45751.9297 -222644.4009 166.4329 -268396.3306 -222073.1722 166.4329 -4457.7331 -2810.5236 921491.4634 -4457.7331 -2810.5236
TIMING: 220 CPU: 104.777, 0.470264/step Wall: 104.777, 0.470264/step, 0.0365761 hours remaining, 3223.285156 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: 114.173, 0.469797/step Wall: 114.173, 0.469797/step, 0.0339298 hours remaining, 3223.285156 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8718 -222396.7196 158.3388 -265923.5914 -222063.5737 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0689 -222575.9246 165.6513 -268112.9935 -222061.6675 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
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ENERGY: 246 20878.5479 19853.7023 5716.8932 174.1558 -334213.1203 21705.0850 0.0000 0.0000 43600.4183 -222284.3178 158.6063 -265884.7361 -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 21719.8454 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 20164.4296 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1245 -2608.3065 921491.4634 -1359.1245 -2608.3065
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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 21994.9042 20013.1599 5733.2541 193.8023 -336093.2679 21826.9295 0.0000 0.0000 43905.3720 -222425.8458 159.7157 -266331.2178 -222091.3307 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
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ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9233 21746.1515 0.0000 0.0000 43667.4212 -222349.0413 158.8501 -266016.4625 -222078.3978 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4408 18950.9577 5693.4518 195.6570 -332975.5971 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
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ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1544 21817.5077 0.0000 0.0000 45796.2576 -222556.7763 166.5942 -268353.0339 -222062.0609 166.5942 -2331.2327 -2737.1920 921491.4634 -2331.2327 -2737.1920
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TIMING: 260 CPU: 123.559, 0.469317/step Wall: 123.559, 0.469317/step, 0.0312878 hours remaining, 3223.636719 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1229 20140.5620 5703.8103 187.9445 -335614.9714 21924.4740 0.0000 0.0000 45349.7770 -222527.2807 164.9700 -267877.0577 -222051.1551 164.9700 -2647.8116 -2773.3904 921491.4634 -2647.8116 -2773.3904
ENERGY: 264 19385.2259 20436.4303 5710.6950 187.5052 -334855.9509 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8413 20681.9924 5713.6241 187.4392 -334395.6630 21906.0163 0.0000 0.0000 43607.6374 -222352.1122 158.6326 -265959.7496 -222054.3372 158.6326 -2038.0572 -2683.6035 921491.4634 -2038.0572 -2683.6035
ENERGY: 266 20048.7897 20788.8699 5712.1327 187.6137 -334399.4575 21914.4804 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 19648.0904 20691.2678 5707.0583 187.8501 -334831.4853 21930.8373 0.0000 0.0000 44220.2167 -222446.1647 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5375 -222504.2926 163.0557 -267327.8301 -222075.9877 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9168 5690.3173 187.1618 -336650.6776 22028.8070 0.0000 0.0000 44308.0074 -222365.2740 161.1804 -266673.2814 -222067.0436 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5584 18896.0661 5692.8269 184.9335 -335921.4615 22015.0579 0.0000 0.0000 45607.7076 -222503.3111 165.9083 -268111.0187 -222081.1572 165.9083 -2551.9685 -2501.8805 921491.4634 -2551.9685 -2501.8805
ENERGY: 273 20123.2137 18932.9080 5697.5118 183.8526 -334925.7012 21985.5295 0.0000 0.0000 45502.7161 -222499.9696 165.5264 -268002.6857 -222069.0459 165.5264 -1837.1976 -2434.6760 921491.4634 -1837.1976 -2434.6760
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ENERGY: 276 19401.8500 19594.7508 5701.2547 182.4904 -333292.1281 21971.0409 0.0000 0.0000 44028.5271 -222412.2142 160.1637 -266440.7413 -222072.9397 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3453 21997.2386 0.0000 0.0000 44632.8110 -222481.8219 162.3619 -267114.6329 -222061.0989 162.3619 -2311.7545 -2498.0546 921491.4634 -2311.7545 -2498.0546
ENERGY: 278 20199.4577 19713.7760 5686.9122 183.6585 -334821.1003 22041.3358 0.0000 0.0000 44532.2538 -222463.7063 161.9961 -266995.9601 -222063.4133 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5800 22096.4198 0.0000 0.0000 43975.0878 -222376.7281 159.9693 -266351.8159 -222065.2025 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 132.93, 0.468549/step Wall: 132.93, 0.468549/step, 0.0286335 hours remaining, 3223.636719 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 22859.3230 19458.4366 5670.0026 185.3899 -336752.6630 22145.1353 0.0000 0.0000 44066.7337 -222367.6418 160.3027 -266434.3755 -222073.4246 160.3027 -4286.3894 -2748.0546 921491.4634 -4286.3894 -2748.0546
ENERGY: 281 22172.5959 19445.1182 5667.0588 186.2206 -337154.6800 22172.1191 0.0000 0.0000 45063.2422 -222448.3252 163.9277 -267511.5674 -222064.8518 163.9277 -3881.2952 -2782.5902 921491.4634 -3881.2952 -2782.5902
ENERGY: 282 20943.7898 19615.5377 5669.9796 186.8360 -336942.5031 22176.7654 0.0000 0.0000 45823.3370 -222526.2577 166.6927 -268349.5946 -222063.3315 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6613 5678.8137 187.1634 -336251.9197 22171.0648 0.0000 0.0000 45328.8520 -222487.2586 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.3998 20401.8820 5692.0830 187.1346 -335412.6297 22166.2909 0.0000 0.0000 44071.4479 -222387.3915 160.3198 -266458.8394 -222061.5540 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3286 20789.9628 5707.3564 186.7145 -334827.1962 22167.0165 0.0000 0.0000 43418.2629 -222354.5545 157.9437 -265772.8174 -222053.5967 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8230 -334658.1145 22176.6862 0.0000 0.0000 43785.6879 -222425.2213 159.2803 -266210.9092 -222054.0583 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1477 22200.2910 0.0000 0.0000 44282.9435 -222485.6059 161.0892 -266768.5495 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3147 22237.9037 0.0000 0.0000 44116.9902 -222455.2377 160.4855 -266572.2279 -222066.9054 160.4855 -3310.5879 -2790.1554 921491.4634 -3310.5879 -2790.1554
ENERGY: 289 21886.4834 19928.6978 5736.1905 180.7560 -336126.9121 22279.0689 0.0000 0.0000 43733.4511 -222382.2643 159.0903 -266115.7154 -222062.2726 159.0903 -4368.9815 -2809.8750 921491.4634 -4368.9815 -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 ============== 148.56
LDB: Largest compute 200 load 0.519720 is 1.1% of average load 45.769302
LDB: Average compute 0.064112 is 0.1% of average load 45.769302
LDB: TIME 148.562 LOAD: AVG 45.7693 MAX 46.9481 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 148.563 LOAD: AVG 45.7693 MAX 46.9481 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 148.576 LOAD: AVG 45.7693 MAX 46.2929 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 148.577
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.578
Info: Initial time: 4 CPUs 0.469237 s/step 5.43098 days/ns 3224.05 MB memory
TIMING: 300 CPU: 142.314, 0.469197/step Wall: 142.314, 0.469197/step, 0.0260665 hours remaining, 3224.054688 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: 151.53, 0.4608/step Wall: 151.53, 0.4608/step, 0.02304 hours remaining, 3224.054688 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: 160.741, 0.460581/step Wall: 160.741, 0.460581/step, 0.0204703 hours remaining, 3224.054688 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: 169.946, 0.460253/step Wall: 169.946, 0.460253/step, 0.0178987 hours remaining, 3224.054688 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: 380 CPU: 179.145, 0.459921/step Wall: 179.145, 0.459921/step, 0.0153307 hours remaining, 3224.054688 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: 386 19981.2271 19220.9465 5707.6638 175.9384 -334865.1818 22880.7959 0.0000 0.0000 44519.8585 -222378.7517 161.9510 -266898.6102 -222051.0438 161.9510 122.6672 -2011.2427 921491.4634 122.6672 -2011.2427
ENERGY: 387 20367.2857 19202.4845 5710.9354 174.6759 -335109.8726 22905.2745 0.0000 0.0000 44377.1815 -222372.0350 161.4320 -266749.2165 -222053.0051 161.4320 -738.9581 -2019.1688 921491.4634 -738.9581 -2019.1688
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8113 20133.3592 5716.9814 176.0456 -336812.3383 23014.0591 0.0000 0.0000 45592.7319 -222486.3498 165.8538 -268079.0816 -222045.7224 165.8538 -1710.2233 -2443.6964 921491.4634 -1710.2233 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.611
LDB: Largest compute 230 load 0.522513 is 1.1% of average load 45.660877
LDB: Average compute 0.063940 is 0.1% of average load 45.660877
LDB: TIME 194.612 LOAD: AVG 45.6609 MAX 46.0321 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 194.613 LOAD: AVG 45.6609 MAX 46.0321 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 194.613 LOAD: AVG 45.6609 MAX 46.0321 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 194.614
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.614
Info: Benchmark time: 4 CPUs 0.460275 s/step 5.32726 days/ns 3224.05 MB memory
TIMING: 400 CPU: 188.345, 0.460022/step Wall: 188.345, 0.460022/step, 0.0127784 hours remaining, 3224.054688 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 20661.9896 5710.0857 195.6954 -336157.5859 23063.1714 0.0000 0.0000 44200.2851 -222384.0420 160.7885 -266584.3271 -222052.9643 160.7885 -282.7612 -2224.6897 921491.4634 -282.7612 -2224.6897
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ENERGY: 418 20154.6646 20457.0910 5705.5847 188.6537 -336970.7862 23098.6723 0.0000 0.0000 44915.1422 -222450.9777 163.3889 -267366.1199 -222046.7092 163.3889 -671.8545 -2269.9922 921491.4634 -671.8545 -2269.9922
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TIMING: 420 CPU: 197.518, 0.458631/step Wall: 197.518, 0.458631/step, 0.0101918 hours remaining, 3224.054688 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 19598.5313 19595.2897 5707.1504 168.7509 -335498.4311 23074.5002 0.0000 0.0000 44915.2778 -222438.9308 163.3894 -267354.2086 -222048.7336 163.3894 -741.9007 -2207.6355 921491.4634 -741.9007 -2207.6355
ENERGY: 428 20140.4227 19760.4169 5710.4628 168.5259 -336199.9849 23087.7673 0.0000 0.0000 44884.2596 -222448.1296 163.2766 -267332.3892 -222058.0549 163.2766 -935.5731 -2206.9585 921491.4634 -935.5731 -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 22013.9873 20024.3737 5712.1700 168.1897 -338096.9205 23149.4490 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 21768.3705 20188.6724 5710.3547 168.1086 -338651.2106 23176.0843 0.0000 0.0000 45177.9914 -222461.6287 164.3451 -267639.6201 -222065.9060 164.3451 -3350.2746 -2296.1499 921491.4634 -3350.2746 -2296.1499
ENERGY: 433 21200.9075 20275.9664 5710.3763 168.4633 -338164.0643 23162.2909 0.0000 0.0000 45192.9287 -222453.1313 164.3995 -267646.0600 -222052.5984 164.3995 -3187.3737 -2272.1278 921491.4634 -3187.3737 -2272.1278
ENERGY: 434 20730.3414 20338.1500 5711.6061 169.3247 -337394.2709 23140.7734 0.0000 0.0000 44883.1000 -222420.9753 163.2724 -267304.0753 -222051.1464 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6558 23123.4097 0.0000 0.0000 44675.9841 -222398.7946 162.5190 -267074.7787 -222049.5891 162.5190 -2061.3582 -2179.8952 921491.4634 -2061.3582 -2179.8952
ENERGY: 436 19670.9240 20349.9983 5717.2345 173.0864 -336303.8811 23119.9078 0.0000 0.0000 44847.0984 -222425.6316 163.1414 -267272.7300 -222059.6958 163.1414 -1520.6595 -2145.1616 921491.4634 -1520.6595 -2145.1616
ENERGY: 437 19434.5513 20329.5094 5720.9894 175.9827 -336411.9782 23136.3868 0.0000 0.0000 45159.2685 -222455.2900 164.2770 -267614.5586 -222050.7502 164.2770 -1319.1165 -2134.4847 921491.4634 -1319.1165 -2134.4847
ENERGY: 438 19935.1530 20278.6098 5724.6884 179.3848 -336899.4573 23173.5520 0.0000 0.0000 45148.1320 -222459.9373 164.2365 -267608.0692 -222051.5668 164.2365 -1493.0938 -2145.0879 921491.4634 -1493.0938 -2145.0879
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TIMING: 440 CPU: 206.683, 0.458277/step Wall: 206.683, 0.458277/step, 0.00763795 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5682 20036.2372 5729.7527 186.7201 -338123.1802 23276.2488 0.0000 0.0000 44417.5453 -222405.1078 161.5788 -266822.6531 -222059.4772 161.5788 -2408.4611 -2197.9669 921491.4634 -2408.4611 -2197.9669
ENERGY: 441 22355.5485 19860.0409 5730.3488 190.1145 -338361.1711 23313.2047 0.0000 0.0000 44502.6958 -222409.2178 161.8886 -266911.9136 -222050.0859 161.8886 -2716.1026 -2221.5311 921491.4634 -2716.1026 -2221.5311
ENERGY: 442 21853.6119 19664.5348 5729.4854 192.9411 -338090.1529 23327.1571 0.0000 0.0000 44880.6313 -222441.7912 163.2634 -267322.4226 -222049.7754 163.2634 -2710.5575 -2229.0693 921491.4634 -2710.5575 -2229.0693
ENERGY: 443 21064.3317 19487.0721 5727.6164 194.9329 -337369.3146 23320.0161 0.0000 0.0000 45118.1100 -222457.2353 164.1273 -267575.3453 -222048.5995 164.1273 -2448.1647 -2220.3528 921491.4634 -2448.1647 -2220.3528
ENERGY: 444 20449.3364 19357.2687 5725.4095 195.8735 -336464.1919 23301.5279 0.0000 0.0000 44987.7171 -222447.0589 163.6530 -267434.7759 -222057.9798 163.6530 -2090.2097 -2206.4397 921491.4634 -2090.2097 -2206.4397
ENERGY: 445 20125.5607 19307.2515 5723.6513 195.6942 -335759.3911 23283.8142 0.0000 0.0000 44708.7150 -222414.7042 162.6380 -267123.4192 -222046.5429 162.6380 -1846.9623 -2201.6923 921491.4634 -1846.9623 -2201.6923
ENERGY: 446 19947.6802 19324.9003 5722.5430 194.3235 -335494.5705 23276.0454 0.0000 0.0000 44620.2941 -222408.7839 162.3164 -267029.0781 -222046.1621 162.3164 -1800.7514 -2216.7291 921491.4634 -1800.7514 -2216.7291
ENERGY: 447 19914.2846 19416.0208 5722.2107 191.8641 -335769.4397 23282.7461 0.0000 0.0000 44816.5084 -222425.8050 163.0301 -267242.3134 -222046.8343 163.0301 -1993.3108 -2253.0600 921491.4634 -1993.3108 -2253.0600
ENERGY: 448 20187.5920 19583.6798 5722.5765 188.5554 -336503.1804 23303.8907 0.0000 0.0000 45065.6671 -222451.2190 163.9365 -267516.8860 -222059.3485 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 21754.4852 20108.1299 5724.4776 181.0897 -338419.3258 23364.6246 0.0000 0.0000 44854.3097 -222432.2091 163.1677 -267286.5188 -222048.7865 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
ENERGY: 451 22355.5902 20357.7255 5724.7144 177.6517 -338952.0921 23381.8010 0.0000 0.0000 44542.6989 -222411.9105 162.0341 -266954.6093 -222048.8250 162.0341 -3074.2535 -2405.7798 921491.4634 -3074.2535 -2405.7798
ENERGY: 452 22246.2017 20536.0135 5723.8953 174.8859 -338927.1549 23378.0946 0.0000 0.0000 44452.9199 -222415.1440 161.7075 -266868.0639 -222059.6371 161.7075 -2659.9607 -2384.7567 921491.4634 -2659.9607 -2384.7567
ENERGY: 453 21399.8730 20641.1312 5722.2878 173.1350 -338392.7947 23354.5910 0.0000 0.0000 44683.7037 -222418.0730 162.5470 -267101.7767 -222043.5372 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3384 20654.1376 5720.2217 172.3637 -337567.1428 23320.6904 0.0000 0.0000 45008.1469 -222443.2442 163.7273 -267451.3910 -222041.8391 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7908 20584.7123 5718.4844 172.5169 -336790.6465 23290.4026 0.0000 0.0000 45086.5792 -222451.1603 164.0126 -267537.7396 -222040.8570 164.0126 -1151.8824 -2255.8572 921491.4634 -1151.8824 -2255.8572
ENERGY: 456 19493.3721 20440.6803 5717.7556 173.4248 -336350.1085 23274.9633 0.0000 0.0000 44811.4729 -222438.4394 163.0118 -267249.9123 -222055.3485 163.0118 -1305.5002 -2245.5822 921491.4634 -1305.5002 -2245.5822
ENERGY: 457 20047.4928 20251.9438 5718.5580 174.9241 -336395.8172 23277.8276 0.0000 0.0000 44521.8707 -222403.2001 161.9583 -266925.0709 -222049.4131 161.9583 -1906.4163 -2263.5012 921491.4634 -1906.4163 -2263.5012
ENERGY: 458 20585.8434 20019.2725 5720.7061 176.6081 -336835.0964 23294.7174 0.0000 0.0000 44632.7891 -222405.1598 162.3618 -267037.9488 -222051.2821 162.3618 -2684.6985 -2301.0426 921491.4634 -2684.6985 -2301.0426
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TIMING: 460 CPU: 215.841, 0.457893/step Wall: 215.841, 0.457893/step, 0.0050877 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9064 5728.0972 179.4910 -338014.3771 23341.8002 0.0000 0.0000 45423.8568 -222480.6118 165.2395 -267904.4686 -222064.6837 165.2395 -3669.8203 -2365.2413 921491.4634 -3669.8203 -2365.2413
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ENERGY: 462 22264.2257 19487.8107 5736.4822 180.9531 -337988.7170 23351.1086 0.0000 0.0000 44559.9291 -222408.2075 162.0968 -266968.1366 -222056.7215 162.0968 -2954.8202 -2323.4251 921491.4634 -2954.8202 -2323.4251
ENERGY: 463 21821.1794 19513.9012 5738.9361 181.1160 -337284.1027 23326.9477 0.0000 0.0000 44313.4570 -222388.5653 161.2002 -266702.0223 -222054.6243 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2461 19559.9269 5739.2518 181.0096 -336389.3838 23291.1941 0.0000 0.0000 44654.0266 -222428.7287 162.4391 -267082.7553 -222058.5731 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7827 19631.8851 5737.2899 180.7155 -335701.1530 23259.7390 0.0000 0.0000 45094.5687 -222474.1722 164.0416 -267568.7409 -222052.9390 164.0416 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4510 19708.3578 5733.2107 180.2808 -335443.7721 23245.0603 0.0000 0.0000 45020.7906 -222467.6209 163.7733 -267488.4115 -222052.9788 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8070 19783.1740 5727.6704 179.7757 -335721.0946 23249.4528 0.0000 0.0000 44523.6662 -222415.5485 161.9649 -266939.2147 -222054.3497 161.9649 -1393.6029 -2232.5924 921491.4634 -1393.6029 -2232.5924
ENERGY: 468 20761.8482 19845.4940 5721.5089 179.2779 -336451.5660 23265.8124 0.0000 0.0000 44291.6582 -222385.9664 161.1209 -266677.6246 -222056.3592 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3015 19910.2020 5715.6824 178.8504 -337458.3198 23284.3960 0.0000 0.0000 44720.3201 -222412.5674 162.6802 -267132.8875 -222046.0751 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -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 21411.1729 19972.8933 5710.9491 178.5947 -338383.2506 23297.0671 0.0000 0.0000 45346.4576 -222466.1158 164.9579 -267812.5733 -222047.6090 164.9579 -4259.6997 -2477.6833 921491.4634 -4259.6997 -2477.6833
ENERGY: 471 21732.8678 20054.6834 5707.9626 178.5890 -338913.2453 23297.5084 0.0000 0.0000 45471.3369 -222470.2972 165.4122 -267941.6340 -222047.5360 165.4122 -4290.5686 -2504.3177 921491.4634 -4290.5686 -2504.3177
ENERGY: 472 22081.2363 20161.5551 5707.0091 178.9047 -338870.6768 23279.4490 0.0000 0.0000 45028.5299 -222433.9927 163.8014 -267462.5226 -222059.5056 163.8014 -3659.7362 -2479.9184 921491.4634 -3659.7362 -2479.9184
ENERGY: 473 21866.1365 20289.3426 5707.9843 179.6165 -338307.7194 23240.7363 0.0000 0.0000 44634.5176 -222389.3857 162.3681 -267023.9033 -222043.8537 162.3681 -2556.3617 -2408.1657 921491.4634 -2556.3617 -2408.1657
ENERGY: 474 20842.9705 20372.0986 5710.2160 180.7466 -337438.4557 23189.2348 0.0000 0.0000 44733.2311 -222409.9579 162.7272 -267143.1891 -222041.2617 162.7272 -1295.5525 -2316.2728 921491.4634 -1295.5525 -2316.2728
ENERGY: 475 19674.2080 20371.7675 5712.9876 182.2512 -336604.2318 23142.3817 0.0000 0.0000 45070.2144 -222450.4214 163.9531 -267520.6359 -222039.4528 163.9531 -344.6449 -2232.2125 921491.4634 -344.6449 -2232.2125
ENERGY: 476 19235.7862 20282.0276 5715.7683 184.0125 -336100.0911 23115.8466 0.0000 0.0000 45106.0638 -222460.5861 164.0835 -267566.6499 -222053.6138 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7251 20145.9815 5718.4976 185.9230 -336101.8796 23114.2939 0.0000 0.0000 44812.3210 -222420.1375 163.0149 -267232.4585 -222044.8411 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4777 19974.7640 5721.0254 187.7262 -336537.4040 23131.2459 0.0000 0.0000 44627.0334 -222402.1315 162.3409 -267029.1648 -222047.4107 162.3409 -1807.1604 -2198.7956 921491.4634 -1807.1604 -2198.7956
ENERGY: 479 21125.3056 19793.3958 5723.3295 189.2099 -337215.5840 23156.6771 0.0000 0.0000 44802.1579 -222425.5083 162.9779 -267227.6662 -222050.5460 162.9779 -3089.8515 -2246.7917 921491.4634 -3089.8515 -2246.7917
TIMING: 480 CPU: 224.989, 0.457379/step Wall: 224.989, 0.457379/step, 0.00254099 hours remaining, 3224.054688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0324 19623.1966 5725.3111 190.1900 -337854.6783 23181.5117 0.0000 0.0000 45051.6816 -222458.7549 163.8856 -267510.4364 -222064.6208 163.8856 -4077.7325 -2291.4891 921491.4634 -4077.7325 -2291.4891
ENERGY: 481 22092.4852 19510.0434 5727.0952 190.6351 -338199.2477 23196.7958 0.0000 0.0000 45041.3368 -222440.8561 163.8480 -267482.1930 -222052.5264 163.8480 -4466.2393 -2305.6732 921491.4634 -4466.2393 -2305.6732
ENERGY: 482 22186.3468 19466.6794 5728.4964 190.3598 -338044.5413 23192.7473 0.0000 0.0000 44865.8518 -222414.0599 163.2096 -267279.9117 -222051.4111 163.2096 -4059.3097 -2278.0614 921491.4634 -4059.3097 -2278.0614
ENERGY: 483 21553.1415 19511.5744 5729.5660 189.3227 -337426.2179 23165.8739 0.0000 0.0000 44861.8967 -222414.8428 163.1953 -267276.7395 -222048.7671 163.1953 -2964.1721 -2216.4115 921491.4634 -2964.1721 -2216.4115
ENERGY: 484 20460.8926 19631.1937 5730.2465 187.5455 -336590.8881 23126.1349 0.0000 0.0000 45003.6031 -222451.2718 163.7107 -267454.8749 -222059.8743 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7719 19800.2989 5730.5256 185.2458 -335902.5862 23092.8468 0.0000 0.0000 44955.5725 -222449.3247 163.5360 -267404.8972 -222045.9607 163.5360 -422.1570 -2086.8736 921491.4634 -422.1570 -2086.8736
ENERGY: 486 19602.5426 19954.8173 5729.7198 182.4662 -335612.3564 23080.3805 0.0000 0.0000 44645.9117 -222416.5183 162.4096 -267062.4300 -222044.6761 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0925 20072.0210 5727.4347 179.4360 -335846.4478 23091.0542 0.0000 0.0000 44503.3493 -222392.0600 161.8910 -266895.4094 -222045.2408 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2099 20156.1360 5723.5441 176.4338 -336552.5450 23118.8613 0.0000 0.0000 44827.0557 -222425.3042 163.0685 -267252.3599 -222057.1940 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8871 20236.4609 5718.5749 173.8639 -337540.4654 23156.7307 0.0000 0.0000 45266.1006 -222461.8474 164.6656 -267727.9480 -222045.6087 164.6656 -2511.2405 -2316.7067 921491.4634 -2511.2405 -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 21410.7488 20292.9023 5712.8912 171.8438 -338458.1362 23196.4874 0.0000 0.0000 45213.5632 -222459.6994 164.4745 -267673.2627 -222048.2209 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4639 20312.1363 5707.3795 170.5404 -338984.5796 23226.0934 0.0000 0.0000 44733.0092 -222404.9569 162.7264 -267137.9661 -222049.4639 162.7264 -4629.6935 -2524.6216 921491.4634 -4629.6935 -2524.6216
ENERGY: 492 22612.9548 20289.6814 5702.9944 170.0208 -338937.5820 23232.7202 0.0000 0.0000 44542.1952 -222387.0152 162.0323 -266929.2104 -222060.3861 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2189 20260.7379 5700.7779 170.3200 -338358.0638 23214.0533 0.0000 0.0000 45033.8231 -222420.1327 163.8207 -267453.9558 -222046.5902 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3366 20225.0267 5700.9806 171.2193 -337454.3840 23183.0792 0.0000 0.0000 45622.2477 -222483.4940 165.9612 -268105.7417 -222044.0868 165.9612 -2500.8995 -2482.1070 921491.4634 -2500.8995 -2482.1070
ENERGY: 495 19383.2461 20186.8307 5703.5926 172.5416 -336566.9891 23159.4622 0.0000 0.0000 45484.1233 -222477.1926 165.4587 -267961.3159 -222041.5564 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4833 20130.6477 5708.0350 174.0933 -335998.7160 23154.2633 0.0000 0.0000 44699.5272 -222409.6663 162.6046 -267109.1934 -222049.0673 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6668 20059.9179 5713.4613 175.7242 -335952.5046 23166.3543 0.0000 0.0000 44261.0288 -222363.3513 161.0095 -266624.3801 -222042.7503 161.0095 -421.0234 -2316.7930 921491.4634 -421.0234 -2316.7930
ENERGY: 498 20182.0165 19957.1217 5718.5597 177.2604 -336366.4935 23189.3583 0.0000 0.0000 44728.2534 -222413.9236 162.7091 -267142.1770 -222044.5223 162.7091 -993.4680 -2331.6474 921491.4634 -993.4680 -2331.6474
ENERGY: 499 20158.0678 19847.7308 5722.4090 178.6361 -337058.4825 23219.2402 0.0000 0.0000 45439.2644 -222493.1342 165.2956 -267932.3987 -222047.2065 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.457178 s/step 5.29142 days/ns 3224.05 MB memory
TIMING: 500 CPU: 234.063, 0.453721/step Wall: 234.063, 0.453721/step, 0 hours remaining, 3224.054688 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 20974.8936 19756.6582 5724.4523 179.8271 -337741.4189 23251.1007 0.0000 0.0000 45359.0778 -222495.4092 165.0039 -267854.4870 -222061.0910 165.0039 -3197.5168 -2425.4142 921491.4634 -3197.5168 -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, 3229.312 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.312 MB of memory in use
====================================================
WallClock: 241.219131 CPUTime: 241.219131 Memory: 3229.312500 MB
[Partition 0][Node 0] End of program
Application 1112100 resources: utime ~948s, stime ~19s, Rss ~126512, inblocks ~66664, outblocks ~71878
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.219131
CPU=241.219131
MEM=3229.312500
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 10:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 21 10:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 21 10:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 21 10:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189494 Dec 21 10:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 21 10:45 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 10:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 21 10:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 21 10:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 21 10:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 21 10:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 21 10:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 21 10:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 21 10:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 21 10:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 21 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/jenkins11732413309739640023.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}
