Skipping 713 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 ============== 54.2241
LDB: Largest compute 200 load 0.429602 is 1.2% of average load 36.816902
LDB: Average compute 0.051571 is 0.1% of average load 36.816902
LDB: Partitioning computes with target load 3.681690
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055368
LDB: ============== END OF LOAD BALANCING =============== 54.2263
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2271
Info: Initial time: 4 CPUs 0.472768 s/step 5.47186 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.2488, 0.471788/step Wall: 48.2488, 0.471788/step, 0.0524209 hours remaining, 3221.554688 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 ============== 63.6444
LDB: ============== END OF LOAD BALANCING =============== 63.6444
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.6449
TIMING: 120 CPU: 57.6645, 0.470784/step Wall: 57.6645, 0.470784/step, 0.0496938 hours remaining, 3221.710938 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1816 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.0765, 0.4706/step Wall: 67.0765, 0.4706/step, 0.04706 hours remaining, 3221.910156 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 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0362 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -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: 76.4741, 0.469881/step Wall: 76.4741, 0.469881/step, 0.0443776 hours remaining, 3222.066406 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: 168 21619.4181 19999.6890 5775.3367 206.4584 -333382.4928 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7709 154.5754 -1735.9905 -2933.5977 921491.4634 -1735.9905 -2933.5977
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2974 21015.2132 0.0000 0.0000 43101.1544 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 85.8629, 0.469441/step Wall: 85.8629, 0.469441/step, 0.0417281 hours remaining, 3222.222656 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 19266.0406 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5885 -222435.3692 161.4844 -266826.9577 -222129.2888 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0856 -222130.9080 154.4178 -3641.8536 -2802.0866 921491.4634 -3641.8536 -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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LDB: ============= START OF LOAD BALANCING ============== 101.233
LDB: Largest compute 200 load 0.423692 is 1.2% of average load 36.638457
LDB: Average compute 0.051320 is 0.1% of average load 36.638457
LDB: TIME 101.235 LOAD: AVG 36.6385 MAX 37.5883 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.51 MB
LDB: TIME 101.237 LOAD: AVG 36.6385 MAX 37.4958 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.51 MB
LDB: ============== END OF LOAD BALANCING =============== 101.239
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.242
Info: Initial time: 4 CPUs 0.470016 s/step 5.44 days/ns 3223.5 MB memory
TIMING: 200 CPU: 95.2604, 0.469874/step Wall: 95.2604, 0.469874/step, 0.0391562 hours remaining, 3223.500000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9373 21215.8253 0.0000 0.0000 44059.6986 -222431.1635 160.2771 -266490.8622 -222093.6428 160.2771 -1046.8258 -2512.4436 921491.4634 -1046.8258 -2512.4436
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ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2380 21322.2409 0.0000 0.0000 44428.6270 -222472.1869 161.6191 -266900.8140 -222122.6318 161.6191 -3669.0643 -2719.7953 921491.4634 -3669.0643 -2719.7953
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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: 210 21385.1735 20194.2569 5705.3139 178.4614 -336615.7771 21385.1095 0.0000 0.0000 45251.4334 -222516.0286 164.6123 -267767.4619 -222108.2020 164.6123 -6091.3664 -2896.2628 921491.4634 -6091.3664 -2896.2628
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8930 21415.1476 0.0000 0.0000 43031.7284 -222254.1132 156.5376 -265285.8417 -222106.8545 156.5376 -5900.2978 -2885.1011 921491.4634 -5900.2978 -2885.1011
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2321 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2159 19524.5249 5720.1722 175.9508 -334874.6443 21380.5551 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2254 -222097.3837 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3935 21358.4484 0.0000 0.0000 46958.4701 -222681.1887 170.8220 -269639.6588 -222093.7409 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3321 21379.5595 0.0000 0.0000 45302.6744 -222527.8919 164.7987 -267830.5663 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1059 21436.4835 0.0000 0.0000 42442.1786 -222248.3320 154.3930 -264690.5105 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6756 21497.2705 0.0000 0.0000 41983.6749 -222225.0684 152.7251 -264208.7434 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0890 5761.2415 184.9927 -333856.1145 21546.6560 0.0000 0.0000 44178.6835 -222478.5362 160.7099 -266657.2198 -222068.8157 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8640 19413.3930 5754.3577 187.2447 -334778.0707 21596.8807 0.0000 0.0000 45751.9296 -222644.4009 166.4329 -268396.3305 -222073.1722 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 104.659, 0.469924/step Wall: 104.659, 0.469924/step, 0.0365496 hours remaining, 3223.500000 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: 220 21580.9145 19260.1136 5743.1672 189.1021 -335473.8430 21655.3183 0.0000 0.0000 44539.5737 -222505.6537 162.0227 -267045.2274 -222092.6291 162.0227 -5898.3512 -2876.6576 921491.4634 -5898.3512 -2876.6576
ENERGY: 221 24234.7391 19146.8278 5730.1601 190.4777 -335718.7273 21699.4243 0.0000 0.0000 42467.0187 -222250.0795 154.4833 -264717.0982 -222077.7837 154.4833 -6342.7097 -2884.3552 921491.4634 -6342.7097 -2884.3552
ENERGY: 222 23735.1223 19085.7308 5717.7679 191.2893 -335388.9912 21700.3076 0.0000 0.0000 42702.0388 -222256.7345 155.3383 -264958.7733 -222075.6640 155.3383 -5368.7278 -2838.7016 921491.4634 -5368.7278 -2838.7016
ENERGY: 223 20286.4335 19110.8427 5708.3528 191.5579 -334633.3911 21665.5241 0.0000 0.0000 45168.7531 -222501.9272 164.3115 -267670.6802 -222072.2459 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9817 19276.3018 5703.4615 191.3517 -333831.1556 21637.4892 0.0000 0.0000 46650.8779 -222649.6918 169.7031 -269300.5696 -222098.2847 169.7031 -1151.0969 -2650.6854 921491.4634 -1151.0969 -2650.6854
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ENERGY: 227 21011.1675 20670.4533 5712.3895 189.0770 -334317.7219 21728.2282 0.0000 0.0000 42721.7944 -222284.6120 155.4101 -265006.4064 -222080.2098 155.4101 -104.6489 -2553.6074 921491.4634 -104.6489 -2553.6074
ENERGY: 228 19866.2927 21035.8345 5716.6482 188.0081 -335312.4267 21761.2922 0.0000 0.0000 44242.5384 -222501.8126 160.9422 -266744.3510 -222102.7895 160.9422 -1440.0182 -2625.9673 921491.4634 -1440.0182 -2625.9673
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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: 230 21999.2456 20926.2538 5717.1889 185.9786 -336838.6564 21834.6449 0.0000 0.0000 43751.0550 -222424.2896 159.1543 -266175.3446 -222088.6911 159.1543 -4902.3780 -2766.0557 921491.4634 -4902.3780 -2766.0557
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ENERGY: 232 22812.6529 19886.6602 5707.7133 183.7520 -336072.1012 21820.0134 0.0000 0.0000 43315.5692 -222345.7402 157.5701 -265661.3094 -222098.2755 157.5701 -5301.5937 -2731.4986 921491.4634 -5301.5937 -2731.4986
ENERGY: 233 20035.6403 19318.2043 5703.4910 182.6157 -334889.2828 21760.7375 0.0000 0.0000 45350.0987 -222538.4953 164.9712 -267888.5940 -222089.6822 164.9712 -3899.2116 -2646.7387 921491.4634 -3899.2116 -2646.7387
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ENERGY: 235 19419.0965 18603.4160 5705.8180 179.9133 -332789.1746 21702.6094 0.0000 0.0000 44750.4957 -222427.8258 162.7900 -267178.3214 -222083.1204 162.7900 -820.1736 -2429.4349 921491.4634 -820.1736 -2429.4349
ENERGY: 236 20566.0776 18629.0999 5714.2865 178.3391 -332585.8842 21721.5010 0.0000 0.0000 43477.4013 -222299.1786 158.1588 -265776.5800 -222073.0118 158.1588 -108.6482 -2371.7043 921491.4634 -108.6482 -2371.7043
ENERGY: 237 20196.0056 18940.2029 5726.8243 176.7459 -333068.3181 21749.0155 0.0000 0.0000 43898.3780 -222381.1458 159.6902 -266279.5239 -222063.3604 159.6902 -172.1587 -2373.2011 921491.4634 -172.1587 -2373.2011
ENERGY: 238 19419.4412 19404.0883 5740.6977 175.0128 -333964.3147 21778.9042 0.0000 0.0000 44901.2437 -222544.9269 163.3384 -267446.1706 -222065.9777 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
ENERGY: 239 20428.8616 19846.5439 5752.8836 173.1946 -334966.8373 21816.7507 0.0000 0.0000 44416.4633 -222532.1396 161.5749 -266948.6029 -222068.9824 161.5749 -2385.1781 -2499.0796 921491.4634 -2385.1781 -2499.0796
TIMING: 240 CPU: 114.049, 0.469502/step Wall: 114.049, 0.469502/step, 0.0339085 hours remaining, 3223.500000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 240 22861.0420 20119.9135 5760.6909 171.4213 -335766.3623 21854.4251 0.0000 0.0000 42641.4775 -222357.3920 155.1180 -264998.8695 -222074.0954 155.1180 -3844.9085 -2568.3896 921491.4634 -3844.9085 -2568.3896
ENERGY: 241 23920.0052 20195.4873 5762.7124 169.9827 -336129.3250 21865.1030 0.0000 0.0000 41957.8935 -222258.1408 152.6313 -264216.0343 -222063.9160 152.6313 -4724.4492 -2616.3453 921491.4634 -4724.4492 -2616.3453
ENERGY: 242 22110.7715 20111.8210 5758.5348 169.0441 -335904.8194 21831.0566 0.0000 0.0000 43526.8719 -222396.7197 158.3388 -265923.5916 -222063.5737 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3619 19969.6446 5749.3614 168.8705 -335233.7066 21770.4746 0.0000 0.0000 45537.0690 -222575.9247 165.6513 -268112.9936 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3935 5737.4544 169.6534 -334482.6008 21720.5674 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7772 165.9864 -2667.7299 -2573.2150 921491.4634 -2667.7299 -2573.2150
ENERGY: 245 20148.2368 19811.7600 5725.7785 171.4559 -334087.5945 21701.2468 0.0000 0.0000 44168.5247 -222360.5918 160.6730 -266529.1165 -222068.6367 160.6730 -1771.6901 -2533.5455 921491.4634 -1771.6901 -2533.5455
ENERGY: 246 20878.5480 19853.7025 5716.8932 174.1558 -334213.1205 21705.0849 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7930 -2523.3912 921491.4634 -1173.7930 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1841 21719.8453 0.0000 0.0000 44912.1913 -222431.6938 163.3782 -267343.8850 -222068.1395 163.3782 -983.0000 -2552.5931 921491.4634 -983.0000 -2552.5931
ENERGY: 248 19035.4924 20164.4296 5713.8450 181.3144 -335623.1352 21746.4309 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -2608.3066
ENERGY: 249 20484.3305 20353.6194 5719.1623 185.0800 -336433.0065 21788.9032 0.0000 0.0000 45370.8151 -222531.0960 165.0466 -267901.9111 -222082.9712 165.0466 -2308.0287 -2671.2386 921491.4634 -2308.0287 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2057 20422.5257 5726.1009 188.5682 -336907.4407 21832.9288 0.0000 0.0000 43252.1658 -222329.9458 157.3395 -265582.1116 -222084.2879 157.3395 -3365.2096 -2722.3880 921491.4634 -3365.2096 -2722.3880
ENERGY: 251 24002.1397 20302.5996 5731.6573 191.5295 -336816.8446 21849.8671 0.0000 0.0000 42475.2391 -222263.8122 154.5132 -264739.0513 -222084.8991 154.5132 -3958.0340 -2753.0724 921491.4634 -3958.0340 -2753.0724
ENERGY: 252 21994.9040 20013.1599 5733.2541 193.8023 -336093.2674 21826.9294 0.0000 0.0000 43905.3720 -222425.8458 159.7157 -266331.2177 -222091.3307 159.7157 -3843.4682 -2758.0339 921491.4634 -3843.4682 -2758.0339
ENERGY: 253 19499.8636 19667.1121 5729.5496 195.2411 -334977.1804 21784.0535 0.0000 0.0000 45520.0191 -222581.3414 165.5893 -268101.3605 -222082.7207 165.5893 -3300.1274 -2735.8132 921491.4634 -3300.1274 -2735.8132
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8795 21752.6523 0.0000 0.0000 45220.9194 -222528.5273 164.5013 -267749.4467 -222080.4688 164.5013 -2707.1337 -2696.1702 921491.4634 -2707.1337 -2696.1702
ENERGY: 255 20324.2311 19109.4101 5707.6062 196.0620 -333099.9231 21746.1514 0.0000 0.0000 43667.4211 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5425 -2662.7815 921491.4634 -2282.5425 -2662.7815
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5969 21757.6846 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4049 -222071.2739 157.0812 -2042.2409 -2664.5199 921491.4634 -2042.2409 -2664.5199
ENERGY: 257 20029.5652 18878.1873 5681.1759 194.7976 -333481.0037 21780.2418 0.0000 0.0000 44488.5469 -222428.4890 161.8371 -266917.0359 -222060.1683 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1543 21817.5076 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0339 -222062.0607 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7709 18984.1029 5671.3007 192.3773 -335369.5276 21871.0065 0.0000 0.0000 45431.1554 -222501.8138 165.2661 -267932.9692 -222063.7306 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.429, 0.469018/step Wall: 123.429, 0.469018/step, 0.0312679 hours remaining, 3223.804688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9543 19188.2463 5675.1875 191.0393 -336169.7728 21924.7892 0.0000 0.0000 44083.4304 -222362.1257 160.3634 -266445.5561 -222069.6813 160.3634 -3407.4794 -2810.9879 921491.4634 -3407.4794 -2810.9879
ENERGY: 261 23215.5572 19485.4656 5683.6413 189.7700 -336523.9799 21953.3901 0.0000 0.0000 43676.0233 -222320.1324 158.8814 -265996.1557 -222052.8237 158.8814 -3555.3695 -2822.8649 921491.4634 -3555.3695 -2822.8649
ENERGY: 262 21606.2723 19814.6778 5694.0656 188.7122 -336291.7858 21947.6073 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4324 162.2485 -3214.7561 -2810.4638 921491.4634 -3214.7561 -2810.4638
ENERGY: 263 19781.1227 20140.5623 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7770 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8115 -2773.3904 921491.4634 -2647.8115 -2773.3904
ENERGY: 264 19385.2260 20436.4307 5710.6950 187.5052 -334855.9512 21907.7771 0.0000 0.0000 44751.4782 -222476.8390 162.7936 -267228.3172 -222069.1985 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9927 5713.6241 187.4392 -334395.6632 21906.0162 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0573 -2683.6035 921491.4634 -2038.0573 -2683.6035
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4577 21914.4804 0.0000 0.0000 43399.3796 -222348.1914 157.8750 -265747.5710 -222054.3636 157.8750 -2130.7241 -2664.5957 921491.4634 -2130.7241 -2664.5957
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8373 0.0000 0.0000 44220.2168 -222446.1648 160.8610 -266666.3816 -222055.6586 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7449 21959.1256 0.0000 0.0000 44823.5376 -222504.2925 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2126 -2658.6181 921491.4634 -2903.2126 -2658.6181
ENERGY: 269 21396.7814 19927.1702 5694.0390 187.7639 -336221.0661 21997.2159 0.0000 0.0000 44586.5097 -222431.5859 162.1935 -267018.0957 -222066.1974 162.1935 -3401.4129 -2647.2950 921491.4634 -3401.4129 -2647.2950
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 19450.9167 5690.3173 187.1618 -336650.6773 22028.8069 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2813 -222067.0435 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5822 19078.8064 5690.0209 186.1610 -336571.7890 22035.2500 0.0000 0.0000 44829.4472 -222406.5213 163.0772 -267235.9685 -222066.8387 163.0772 -3261.2174 -2569.2622 921491.4634 -3261.2174 -2569.2622
ENERGY: 272 21021.5582 18896.0660 5692.8269 184.9335 -335921.4610 22015.0578 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 20123.2135 18932.9079 5697.5118 183.8526 -334925.7007 21985.5294 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6856 -222069.0459 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7416 19121.4861 5701.6806 183.0070 -333931.6252 21965.2975 0.0000 0.0000 44478.5174 -222406.8952 161.8006 -266885.4125 -222066.8028 161.8006 -1366.5212 -2384.6634 921491.4634 -1366.5212 -2384.6634
ENERGY: 275 20005.4317 19374.0679 5703.3424 182.5376 -333318.5599 21960.8298 0.0000 0.0000 43741.9681 -222350.3824 159.1213 -266092.3505 -222065.7692 159.1213 -1269.7931 -2374.8869 921491.4634 -1269.7931 -2374.8869
ENERGY: 276 19401.8501 19594.7507 5701.2546 182.4904 -333292.1278 21971.0408 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6041 921491.4634 -1580.1300 -2417.6041
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3451 21997.2385 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 20199.4576 19713.7760 5686.9122 183.6585 -334821.1001 22041.3357 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8158 -2593.7697 921491.4634 -3254.8158 -2593.7697
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5799 22096.4197 0.0000 0.0000 43975.0878 -222376.7279 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3214 -2682.8390 921491.4634 -4044.3214 -2682.8390
TIMING: 280 CPU: 132.805, 0.468784/step Wall: 132.805, 0.468784/step, 0.0286479 hours remaining, 3223.804688 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 280 22859.3231 19458.4368 5670.0026 185.3899 -336752.6633 22145.1353 0.0000 0.0000 44066.7337 -222367.6420 160.3027 -266434.3757 -222073.4248 160.3027 -4286.3894 -2748.0547 921491.4634 -4286.3894 -2748.0547
ENERGY: 281 22172.5958 19445.1184 5667.0588 186.2206 -337154.6803 22172.1190 0.0000 0.0000 45063.2423 -222448.3254 163.9277 -267511.5677 -222064.8520 163.9277 -3881.2952 -2782.5903 921491.4634 -3881.2952 -2782.5903
ENERGY: 282 20943.7897 19615.5380 5669.9796 186.8360 -336942.5035 22176.7653 0.0000 0.0000 45823.3371 -222526.2579 166.6927 -268349.5949 -222063.3317 166.6927 -2992.3272 -2779.3669 921491.4634 -2992.3272 -2779.3669
ENERGY: 283 20432.1060 19966.6616 5678.8137 187.1634 -336251.9202 22171.0647 0.0000 0.0000 45328.8521 -222487.2588 164.8939 -267816.1109 -222060.8461 164.8939 -2008.7736 -2748.2307 921491.4634 -2008.7736 -2748.2307
ENERGY: 284 20506.3999 20401.8823 5692.0830 187.1346 -335412.6301 22166.2908 0.0000 0.0000 44071.4480 -222387.3915 160.3198 -266458.8395 -222061.5541 160.3198 -1267.2791 -2712.3902 921491.4634 -1267.2791 -2712.3902
ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1966 22167.0164 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8438 -2700.0821 921491.4634 -1010.8438 -2700.0821
ENERGY: 286 19396.6308 20966.5623 5721.5031 185.8229 -334658.1149 22176.6862 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9096 -222054.0583 159.2803 -1306.7503 -2717.2848 921491.4634 -1306.7503 -2717.2848
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9438 -222485.6060 161.0892 -266768.5499 -222055.7254 161.0892 -2148.9613 -2753.3345 921491.4634 -2148.9613 -2753.3345
ENERGY: 288 20263.2088 20475.2851 5736.9557 182.7335 -335468.3148 22237.9036 0.0000 0.0000 44116.9904 -222455.2377 160.4855 -266572.2281 -222066.9054 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4835 19928.6979 5736.1905 180.7560 -336126.9122 22279.0689 0.0000 0.0000 43733.4512 -222382.2642 159.0903 -266115.7154 -222062.2725 159.0903 -4368.9816 -2809.8750 921491.4634 -4368.9816 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9845 19325.5265 5730.3279 178.6973 -336571.4573 22308.2173 0.0000 0.0000 44027.4233 -222385.2803 160.1597 -266412.7037 -222063.4685 160.1597 -4815.3288 -2796.0391 921491.4634 -4815.3288 -2796.0391
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LDB: ============= START OF LOAD BALANCING ============== 148.174
LDB: Largest compute 200 load 0.519487 is 1.1% of average load 45.727718
LDB: Average compute 0.064053 is 0.1% of average load 45.727718
LDB: TIME 148.176 LOAD: AVG 45.7277 MAX 46.9313 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224 MB
LDB: TIME 148.176 LOAD: AVG 45.7277 MAX 46.9313 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224 MB
LDB: TIME 148.19 LOAD: AVG 45.7277 MAX 46.2487 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: ============== END OF LOAD BALANCING =============== 148.191
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.193
Info: Initial time: 4 CPUs 0.469039 s/step 5.42869 days/ns 3224 MB memory
TIMING: 300 CPU: 142.183, 0.468925/step Wall: 142.183, 0.468925/step, 0.0260514 hours remaining, 3224.003906 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: 151.406, 0.461142/step Wall: 151.406, 0.461142/step, 0.0230571 hours remaining, 3224.003906 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: 160.623, 0.460841/step Wall: 160.623, 0.460841/step, 0.0204818 hours remaining, 3224.003906 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: 169.834, 0.460548/step Wall: 169.834, 0.460548/step, 0.0179102 hours remaining, 3224.003906 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: 364 19323.8974 19612.6013 5699.8913 181.0103 -336175.1999 22790.5192 0.0000 0.0000 46034.3490 -222532.9313 167.4603 -268567.2803 -222068.5918 167.4603 -1420.0423 -2476.3756 921491.4634 -1420.0423 -2476.3756
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 378 20473.8100 20495.6595 5711.4639 183.2952 -336584.2286 22821.5836 0.0000 0.0000 44474.7542 -222423.6622 161.7869 -266898.4164 -222044.3969 161.7869 -2972.9874 -2523.3500 921491.4634 -2972.9874 -2523.3500
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TIMING: 380 CPU: 179.041, 0.460332/step Wall: 179.041, 0.460332/step, 0.0153444 hours remaining, 3224.003906 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 19625.4112 19596.0353 5710.5349 179.0647 -336052.0490 22884.2534 0.0000 0.0000 45539.1832 -222517.5661 165.6590 -268056.7494 -222062.0929 165.6590 -569.2378 -2166.9357 921491.4634 -569.2378 -2166.9357
ENERGY: 385 19327.8179 19356.8911 5707.7751 177.4354 -335210.6404 22871.6144 0.0000 0.0000 45299.7170 -222469.3893 164.7879 -267769.1063 -222051.0996 164.7879 215.3516 -2064.3636 921491.4634 215.3516 -2064.3636
ENERGY: 386 19981.2272 19220.9463 5707.6638 175.9384 -334865.1820 22880.7959 0.0000 0.0000 44519.8586 -222378.7519 161.9510 -266898.6105 -222051.0441 161.9510 122.6672 -2011.2427 921491.4634 122.6672 -2011.2427
ENERGY: 387 20367.2859 19202.4843 5710.9354 174.6759 -335109.8729 22905.2745 0.0000 0.0000 44377.1816 -222372.0353 161.4320 -266749.2169 -222053.0053 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1522 22938.2902 0.0000 0.0000 44972.7761 -222459.6734 163.5986 -267432.4494 -222067.4820 163.5986 -2063.8553 -2076.2820 921491.4634 -2063.8553 -2076.2820
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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 19692.8116 20133.3592 5716.9814 176.0456 -336812.3384 23014.0592 0.0000 0.0000 45592.7318 -222486.3496 165.8538 -268079.0814 -222045.7222 165.8538 -1710.2233 -2443.6962 921491.4634 -1710.2233 -2443.6962
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LDB: ============= START OF LOAD BALANCING ============== 194.26
LDB: Largest compute 230 load 0.523308 is 1.1% of average load 45.665266
LDB: Average compute 0.063944 is 0.1% of average load 45.665266
LDB: TIME 194.262 LOAD: AVG 45.6653 MAX 46.0673 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224 MB
LDB: TIME 194.262 LOAD: AVG 45.6653 MAX 46.0673 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: TIME 194.263 LOAD: AVG 45.6653 MAX 46.0673 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224 MB
LDB: ============== END OF LOAD BALANCING =============== 194.263
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.264
Info: Benchmark time: 4 CPUs 0.460611 s/step 5.33115 days/ns 3224 MB memory
TIMING: 400 CPU: 188.249, 0.460394/step Wall: 188.249, 0.460394/step, 0.0127887 hours remaining, 3224.003906 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: 403 20784.9693 19778.4826 5715.7218 174.2695 -337239.9787 23077.8411 0.0000 0.0000 45225.5956 -222483.0988 164.5183 -267708.6944 -222046.6858 164.5183 -3613.5975 -2605.7426 921491.4634 -3613.5975 -2605.7426
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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: 413 21130.1415 20138.5250 5699.9334 199.7191 -337872.5327 23125.1122 0.0000 0.0000 45113.2142 -222465.8872 164.1095 -267579.1014 -222055.3456 164.1095 -3850.6268 -2398.9548 921491.4634 -3850.6268 -2398.9548
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ENERGY: 416 19942.3168 20661.9897 5710.0857 195.6953 -336157.5867 23063.1718 0.0000 0.0000 44200.2851 -222384.0423 160.7885 -266584.3273 -222052.9646 160.7885 -282.7611 -2224.6896 921491.4634 -282.7611 -2224.6896
ENERGY: 417 20031.3748 20631.3210 5709.0494 192.4696 -336373.1081 23072.1101 0.0000 0.0000 44338.4621 -222398.3211 161.2911 -266736.7832 -222044.6995 161.2911 -112.4551 -2227.1699 921491.4634 -112.4551 -2227.1699
ENERGY: 418 20154.6648 20457.0910 5705.5847 188.6536 -336970.7873 23098.6727 0.0000 0.0000 44915.1423 -222450.9780 163.3889 -267366.1204 -222046.7095 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
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TIMING: 420 CPU: 197.426, 0.458892/step Wall: 197.426, 0.458892/step, 0.0101976 hours remaining, 3224.003906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 427 19598.5314 19595.2896 5707.1504 168.7509 -335498.4318 23074.5002 0.0000 0.0000 44915.2778 -222438.9314 163.3894 -267354.2092 -222048.7342 163.3894 -741.9009 -2207.6356 921491.4634 -741.9009 -2207.6356
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9854 23087.7673 0.0000 0.0000 44884.2596 -222448.1300 163.2766 -267332.3896 -222058.0552 163.2766 -935.5734 -2206.9585 921491.4634 -935.5734 -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 22013.9875 20024.3739 5712.1700 168.1897 -338096.9207 23149.4488 0.0000 0.0000 44626.3098 -222402.4409 162.3382 -267028.7507 -222047.3918 162.3382 -2472.2459 -2268.0466 921491.4634 -2472.2459 -2268.0466
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ENERGY: 432 21768.3701 20188.6726 5710.3547 168.1086 -338651.2100 23176.0841 0.0000 0.0000 45177.9911 -222461.6288 164.3451 -267639.6199 -222065.9061 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9069 20275.9666 5710.3763 168.4633 -338164.0634 23162.2905 0.0000 0.0000 45192.9285 -222453.1314 164.3995 -267646.0598 -222052.5985 164.3995 -3187.3733 -2272.1277 921491.4634 -3187.3733 -2272.1277
ENERGY: 434 20730.3411 20338.1501 5711.6061 169.3247 -337394.2700 23140.7730 0.0000 0.0000 44883.0997 -222420.9754 163.2724 -267304.0751 -222051.1465 163.2724 -2694.3107 -2227.7886 921491.4634 -2694.3107 -2227.7886
ENERGY: 435 20235.2200 20362.4016 5714.0003 170.8455 -336680.6550 23123.4092 0.0000 0.0000 44675.9837 -222398.7947 162.5190 -267074.7784 -222049.5891 162.5190 -2061.3581 -2179.8952 921491.4634 -2061.3581 -2179.8952
ENERGY: 436 19670.9241 20349.9983 5717.2345 173.0864 -336303.8806 23119.9072 0.0000 0.0000 44847.0982 -222425.6319 163.1414 -267272.7301 -222059.6961 163.1414 -1520.6597 -2145.1618 921491.4634 -1520.6597 -2145.1618
ENERGY: 437 19434.5514 20329.5093 5720.9893 175.9827 -336411.9780 23136.3862 0.0000 0.0000 45159.2686 -222455.2903 164.2770 -267614.5589 -222050.7505 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1532 20278.6096 5724.6884 179.3848 -336899.4571 23173.5514 0.0000 0.0000 45148.1322 -222459.9376 164.2365 -267608.0698 -222051.5670 164.2365 -1493.0943 -2145.0881 921491.4634 -1493.0943 -2145.0881
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TIMING: 440 CPU: 206.6, 0.458683/step Wall: 206.6, 0.458683/step, 0.00764472 hours remaining, 3224.003906 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 22071.5685 20036.2370 5729.7527 186.7201 -338123.1802 23276.2480 0.0000 0.0000 44417.5457 -222405.1081 161.5788 -266822.6539 -222059.4775 161.5788 -2408.4615 -2197.9672 921491.4634 -2408.4615 -2197.9672
ENERGY: 441 22355.5486 19860.0406 5730.3488 190.1145 -338361.1710 23313.2039 0.0000 0.0000 44502.6965 -222409.2181 161.8886 -266911.9147 -222050.0862 161.8886 -2716.1029 -2221.5314 921491.4634 -2716.1029 -2221.5314
ENERGY: 442 21853.6116 19664.5345 5729.4854 192.9411 -338090.1528 23327.1562 0.0000 0.0000 44880.6324 -222441.7916 163.2634 -267322.4240 -222049.7758 163.2634 -2710.5577 -2229.0697 921491.4634 -2710.5577 -2229.0697
ENERGY: 443 21064.3314 19487.0718 5727.6164 194.9329 -337369.3146 23320.0151 0.0000 0.0000 45118.1112 -222457.2357 164.1273 -267575.3469 -222048.5998 164.1273 -2448.1648 -2220.3532 921491.4634 -2448.1648 -2220.3532
ENERGY: 444 20449.3363 19357.2685 5725.4095 195.8735 -336464.1921 23301.5270 0.0000 0.0000 44987.7182 -222447.0592 163.6530 -267434.7773 -222057.9801 163.6530 -2090.2100 -2206.4401 921491.4634 -2090.2100 -2206.4401
ENERGY: 445 20125.5608 19307.2514 5723.6513 195.6942 -335759.3915 23283.8132 0.0000 0.0000 44708.7160 -222414.7045 162.6380 -267123.4205 -222046.5432 162.6380 -1846.9627 -2201.6927 921491.4634 -1846.9627 -2201.6927
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5712 23276.0445 0.0000 0.0000 44620.2952 -222408.7843 162.3164 -267029.0794 -222046.1624 162.3164 -1800.7519 -2216.7296 921491.4634 -1800.7519 -2216.7296
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4406 23282.7452 0.0000 0.0000 44816.5095 -222425.8054 163.0301 -267242.3149 -222046.8346 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5922 19583.6801 5722.5764 188.5554 -336503.1808 23303.8899 0.0000 0.0000 45065.6681 -222451.2188 163.9365 -267516.8869 -222059.3483 163.9365 -2372.1882 -2303.7901 921491.4634 -2372.1882 -2303.7901
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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 21754.4855 20108.1301 5724.4776 181.0897 -338419.3260 23364.6238 0.0000 0.0000 44854.3104 -222432.2089 163.1677 -267286.5192 -222048.7863 163.1677 -3116.6761 -2394.3898 921491.4634 -3116.6761 -2394.3898
ENERGY: 451 22355.5902 20357.7256 5724.7144 177.6517 -338952.0919 23381.8003 0.0000 0.0000 44542.6995 -222411.9103 162.0341 -266954.6098 -222048.8248 162.0341 -3074.2536 -2405.7799 921491.4634 -3074.2536 -2405.7799
ENERGY: 452 22246.2014 20536.0135 5723.8953 174.8859 -338927.1546 23378.0940 0.0000 0.0000 44452.9204 -222415.1441 161.7075 -266868.0645 -222059.6372 161.7075 -2659.9606 -2384.7569 921491.4634 -2659.9606 -2384.7569
ENERGY: 453 21399.8726 20641.1311 5722.2878 173.1350 -338392.7942 23354.5905 0.0000 0.0000 44683.7039 -222418.0732 162.5470 -267101.7771 -222043.5373 162.5470 -2048.3338 -2342.4669 921491.4634 -2048.3338 -2342.4669
ENERGY: 454 20248.3382 20654.1374 5720.2217 172.3637 -337567.1421 23320.6900 0.0000 0.0000 45008.1468 -222443.2443 163.7273 -267451.3911 -222041.8393 163.7273 -1453.4578 -2293.1451 921491.4634 -1453.4578 -2293.1451
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6457 23290.4023 0.0000 0.0000 45086.5789 -222451.1605 164.0126 -267537.7394 -222040.8572 164.0126 -1151.8823 -2255.8571 921491.4634 -1151.8823 -2255.8571
ENERGY: 456 19493.3721 20440.6801 5717.7556 173.4248 -336350.1081 23274.9631 0.0000 0.0000 44811.4724 -222438.4399 163.0118 -267249.9123 -222055.3490 163.0118 -1305.5004 -2245.5823 921491.4634 -1305.5004 -2245.5823
ENERGY: 457 20047.4928 20251.9436 5718.5580 174.9241 -336395.8169 23277.8275 0.0000 0.0000 44521.8702 -222403.2006 161.9583 -266925.0708 -222049.4136 161.9583 -1906.4165 -2263.5013 921491.4634 -1906.4165 -2263.5013
ENERGY: 458 20585.8435 20019.2724 5720.7061 176.6081 -336835.0961 23294.7174 0.0000 0.0000 44632.7884 -222405.1603 162.3618 -267037.9486 -222051.2826 162.3618 -2684.6988 -2301.0426 921491.4634 -2684.6988 -2301.0426
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TIMING: 460 CPU: 215.763, 0.458155/step Wall: 215.763, 0.458155/step, 0.00509061 hours remaining, 3224.003906 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 -338014.3765 23341.8005 0.0000 0.0000 45423.8559 -222480.6118 165.2395 -267904.4677 -222064.6838 165.2395 -3669.8202 -2365.2411 921491.4634 -3669.8202 -2365.2411
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ENERGY: 462 22264.2253 19487.8105 5736.4822 180.9531 -337988.7165 23351.1091 0.0000 0.0000 44559.9286 -222408.2076 162.0968 -266968.1362 -222056.7216 162.0968 -2954.8197 -2323.4248 921491.4634 -2954.8197 -2323.4248
ENERGY: 463 21821.1789 19513.9012 5738.9361 181.1160 -337284.1023 23326.9483 0.0000 0.0000 44313.4564 -222388.5654 161.2002 -266702.0218 -222054.6244 161.2002 -2012.4420 -2264.0776 921491.4634 -2012.4420 -2264.0776
ENERGY: 464 20535.2458 19559.9270 5739.2518 181.0096 -336389.3835 23291.1948 0.0000 0.0000 44654.0260 -222428.7286 162.4391 -267082.7545 -222058.5730 162.4391 -1050.9222 -2205.5265 921491.4634 -1050.9222 -2205.5265
ENERGY: 465 19322.7825 19631.8853 5737.2899 180.7155 -335701.1531 23259.7399 0.0000 0.0000 45094.5680 -222474.1721 164.0416 -267568.7401 -222052.9389 164.0416 -512.3341 -2174.4005 921491.4634 -512.3341 -2174.4005
ENERGY: 466 19088.4508 19708.3582 5733.2107 180.2808 -335443.7726 23245.0612 0.0000 0.0000 45020.7901 -222467.6208 163.7733 -267488.4109 -222052.9787 163.7733 -630.3310 -2182.6707 921491.4634 -630.3310 -2182.6707
ENERGY: 467 19841.8069 19783.1744 5727.6704 179.7757 -335721.0955 23249.4539 0.0000 0.0000 44523.6659 -222415.5484 161.9649 -266939.2143 -222054.3496 161.9649 -1393.6026 -2232.5920 921491.4634 -1393.6026 -2232.5920
ENERGY: 468 20761.8483 19845.4945 5721.5089 179.2779 -336451.5674 23265.8135 0.0000 0.0000 44291.6579 -222385.9664 161.1209 -266677.6243 -222056.3592 161.1209 -2508.6713 -2314.1338 921491.4634 -2508.6713 -2314.1338
ENERGY: 469 21236.3019 19910.2025 5715.6824 178.8504 -337458.3214 23284.3972 0.0000 0.0000 44720.3197 -222412.5673 162.6802 -267132.8870 -222046.0751 162.6802 -3596.7406 -2405.7970 921491.4634 -3596.7406 -2405.7970
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1733 19972.8938 5710.9491 178.5947 -338383.2522 23297.0684 0.0000 0.0000 45346.4572 -222466.1157 164.9579 -267812.5729 -222047.6090 164.9579 -4259.6995 -2477.6829 921491.4634 -4259.6995 -2477.6829
ENERGY: 471 21732.8678 20054.6839 5707.9626 178.5890 -338913.2469 23297.5097 0.0000 0.0000 45471.3366 -222470.2972 165.4122 -267941.6338 -222047.5360 165.4122 -4290.5682 -2504.3173 921491.4634 -4290.5682 -2504.3173
ENERGY: 472 22081.2361 20161.5555 5707.0091 178.9047 -338870.6786 23279.4504 0.0000 0.0000 45028.5297 -222433.9931 163.8014 -267462.5228 -222059.5060 163.8014 -3659.7357 -2479.9181 921491.4634 -3659.7357 -2479.9181
ENERGY: 473 21866.1363 20289.3430 5707.9843 179.6165 -338307.7211 23240.7377 0.0000 0.0000 44634.5173 -222389.3861 162.3681 -267023.9034 -222043.8541 162.3681 -2556.3611 -2408.1654 921491.4634 -2556.3611 -2408.1654
ENERGY: 474 20842.9705 20372.0990 5710.2160 180.7466 -337438.4573 23189.2362 0.0000 0.0000 44733.2305 -222409.9583 162.7272 -267143.1888 -222041.2621 162.7272 -1295.5519 -2316.2725 921491.4634 -1295.5519 -2316.2725
ENERGY: 475 19674.2081 20371.7678 5712.9876 182.2512 -336604.2333 23142.3832 0.0000 0.0000 45070.2138 -222450.4218 163.9531 -267520.6356 -222039.4532 163.9531 -344.6443 -2232.2122 921491.4634 -344.6443 -2232.2122
ENERGY: 476 19235.7861 20282.0277 5715.7683 184.0125 -336100.0923 23115.8480 0.0000 0.0000 45106.0634 -222460.5862 164.0835 -267566.6496 -222053.6139 164.0835 -92.4045 -2183.0649 921491.4634 -92.4045 -2183.0649
ENERGY: 477 19704.7249 20145.9815 5718.4976 185.9230 -336101.8808 23114.2953 0.0000 0.0000 44812.3210 -222420.1375 163.0149 -267232.4585 -222044.8412 163.0149 -667.4942 -2171.8225 921491.4634 -667.4942 -2171.8225
ENERGY: 478 20493.4777 19974.7638 5721.0254 187.7262 -336537.4054 23131.2473 0.0000 0.0000 44627.0334 -222402.1315 162.3409 -267029.1650 -222047.4108 162.3409 -1807.1602 -2198.7953 921491.4634 -1807.1602 -2198.7953
ENERGY: 479 21125.3059 19793.3954 5723.3295 189.2099 -337215.5854 23156.6784 0.0000 0.0000 44802.1580 -222425.5083 162.9779 -267227.6663 -222050.5461 162.9779 -3089.8514 -2246.7914 921491.4634 -3089.8514 -2246.7914
TIMING: 480 CPU: 224.922, 0.457953/step Wall: 224.922, 0.457953/step, 0.00254418 hours remaining, 3224.003906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 480 21624.0328 19623.1961 5725.3111 190.1901 -337854.6798 23181.5129 0.0000 0.0000 45051.6818 -222458.7551 163.8856 -267510.4368 -222064.6210 163.8856 -4077.7325 -2291.4888 921491.4634 -4077.7325 -2291.4888
ENERGY: 481 22092.4854 19510.0430 5727.0952 190.6351 -338199.2492 23196.7969 0.0000 0.0000 45041.3372 -222440.8563 163.8480 -267482.1935 -222052.5266 163.8480 -4466.2392 -2305.6729 921491.4634 -4466.2392 -2305.6729
ENERGY: 482 22186.3468 19466.6792 5728.4963 190.3598 -338044.5427 23192.7483 0.0000 0.0000 44865.8522 -222414.0601 163.2096 -267279.9123 -222051.4113 163.2096 -4059.3095 -2278.0612 921491.4634 -4059.3095 -2278.0612
ENERGY: 483 21553.1415 19511.5744 5729.5660 189.3227 -337426.2192 23165.8748 0.0000 0.0000 44861.8969 -222414.8430 163.1953 -267276.7399 -222048.7673 163.1953 -2964.1719 -2216.4113 921491.4634 -2964.1719 -2216.4113
ENERGY: 484 20460.8928 19631.1939 5730.2465 187.5455 -336590.8892 23126.1358 0.0000 0.0000 45003.6028 -222451.2719 163.7107 -267454.8748 -222059.8745 163.7107 -1565.2423 -2143.1849 921491.4634 -1565.2423 -2143.1849
ENERGY: 485 19688.7722 19800.2992 5730.5256 185.2458 -335902.5873 23092.8476 0.0000 0.0000 44955.5720 -222449.3248 163.5360 -267404.8968 -222045.9608 163.5360 -422.1568 -2086.8735 921491.4634 -422.1568 -2086.8735
ENERGY: 486 19602.5427 19954.8178 5729.7197 182.4662 -335612.3572 23080.3812 0.0000 0.0000 44645.9111 -222416.5184 162.4096 -267062.4296 -222044.6763 162.4096 87.3182 -2070.0982 921491.4634 87.3182 -2070.0982
ENERGY: 487 19881.0926 20072.0214 5727.4347 179.4360 -335846.4484 23091.0547 0.0000 0.0000 44503.3488 -222392.0602 161.8910 -266895.4089 -222045.2409 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2099 20156.1363 5723.5441 176.4338 -336552.5452 23118.8618 0.0000 0.0000 44827.0550 -222425.3043 163.0685 -267252.3593 -222057.1940 163.0685 -1145.7534 -2194.6679 921491.4634 -1145.7534 -2194.6679
ENERGY: 489 20526.8872 20236.4610 5718.5748 173.8639 -337540.4652 23156.7311 0.0000 0.0000 45266.0997 -222461.8474 164.6656 -267727.9472 -222045.6087 164.6656 -2511.2405 -2316.7066 921491.4634 -2511.2405 -2316.7066
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 -338458.1355 23196.4877 0.0000 0.0000 45213.5621 -222459.6995 164.4745 -267673.2616 -222048.2209 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4637 20312.1363 5707.3795 170.5404 -338984.5785 23226.0936 0.0000 0.0000 44733.0081 -222404.9570 162.7264 -267137.9650 -222049.4640 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9544 20289.6814 5702.9944 170.0208 -338937.5808 23232.7202 0.0000 0.0000 44542.1940 -222387.0155 162.0323 -266929.2095 -222060.3864 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2186 20260.7379 5700.7779 170.3201 -338358.0624 23214.0533 0.0000 0.0000 45033.8217 -222420.1330 163.8207 -267453.9547 -222046.5905 163.8207 -3796.3819 -2540.0997 921491.4634 -3796.3819 -2540.0997
ENERGY: 494 20068.3365 20225.0266 5700.9805 171.2193 -337454.3824 23183.0790 0.0000 0.0000 45622.2462 -222483.4944 165.9612 -268105.7405 -222044.0872 165.9612 -2500.8992 -2482.1070 921491.4634 -2500.8992 -2482.1070
ENERGY: 495 19383.2461 20186.8305 5703.5926 172.5416 -336566.9875 23159.4619 0.0000 0.0000 45484.1219 -222477.1930 165.4587 -267961.3148 -222041.5568 165.4587 -1249.6837 -2407.3057 921491.4634 -1249.6837 -2407.3057
ENERGY: 496 19722.4832 20130.6475 5708.0350 174.0933 -335998.7139 23154.2628 0.0000 0.0000 44699.5260 -222409.6660 162.6046 -267109.1921 -222049.0671 162.6046 -478.8996 -2343.4751 921491.4634 -478.8996 -2343.4751
ENERGY: 497 20212.6667 20059.9177 5713.4613 175.7242 -335952.5026 23166.3537 0.0000 0.0000 44261.0280 -222363.3511 161.0095 -266624.3791 -222042.7500 161.0095 -421.0232 -2316.7929 921491.4634 -421.0232 -2316.7929
ENERGY: 498 20182.0165 19957.1214 5718.5596 177.2604 -336366.4917 23189.3576 0.0000 0.0000 44728.2528 -222413.9233 162.7091 -267142.1762 -222044.5220 162.7091 -993.4681 -2331.6474 921491.4634 -993.4681 -2331.6474
ENERGY: 499 20158.0680 19847.7305 5722.4089 178.6361 -337058.4809 23219.2394 0.0000 0.0000 45439.2640 -222493.1339 165.2956 -267932.3980 -222047.2063 165.2956 -2020.8690 -2376.3392 921491.4634 -2020.8690 -2376.3392
Info: Benchmark time: 4 CPUs 0.457555 s/step 5.29578 days/ns 3224 MB memory
TIMING: 500 CPU: 234.004, 0.454101/step Wall: 234.004, 0.454101/step, 0 hours remaining, 3224.003906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6580 5724.4523 179.8271 -337741.4179 23251.0998 0.0000 0.0000 45359.0777 -222495.4092 165.0039 -267854.4869 -222061.0910 165.0039 -3197.5170 -2425.4143 921491.4634 -3197.5170 -2425.4143
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, 3229.453 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.453 MB of memory in use
====================================================
WallClock: 240.908798 CPUTime: 240.908798 Memory: 3229.453125 MB
[Partition 0][Node 0] End of program
Application 109840899 resources: utime ~947s, stime ~18s, Rss ~126776, inblocks ~67007, outblocks ~72238
Displaying status file:
verified
WALL=240.908798
CPU=240.908798
MEM=3229.453125
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins15805478238078212082.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace/memory /var/lib/jenkins/jobs/NAMD-BW/workspace/namd /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD-BW/workspace
+ scp BW_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD-BW/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD-BW/workspace/memory
Finished: SUCCESS
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