Skipping 717 KB..
Full Log
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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 ============== 54.166
LDB: Largest compute 200 load 0.430176 is 1.2% of average load 36.778875
LDB: Average compute 0.051528 is 0.1% of average load 36.778875
LDB: Partitioning computes with target load 3.677887
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055898
LDB: ============== END OF LOAD BALANCING =============== 54.1681
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.1689
Info: Initial time: 4 CPUs 0.473222 s/step 5.47711 days/ns 3221.56 MB memory
TIMING: 100 CPU: 48.2936, 0.472241/step Wall: 48.2936, 0.472241/step, 0.0524712 hours remaining, 3221.562500 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 ============== 63.5961
LDB: ============== END OF LOAD BALANCING =============== 63.5962
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.5966
TIMING: 120 CPU: 57.7192, 0.471281/step Wall: 57.7192, 0.471281/step, 0.0497463 hours remaining, 3221.738281 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0135 21118.0422 0.0000 0.0000 44811.1497 -222472.9666 163.0106 -267284.1163 -222216.5363 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8525 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
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TIMING: 140 CPU: 67.1401, 0.471042/step Wall: 67.1401, 0.471042/step, 0.0471042 hours remaining, 3221.933594 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 -333726.9443 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3946 -222224.0360 164.2224 -5617.7629 -3080.3639 921491.4634 -5617.7629 -3080.3639
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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: 76.5516, 0.470578/step Wall: 76.5516, 0.470578/step, 0.0444435 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: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6068 -222342.9102 156.6790 -265413.5170 -222161.4905 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
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ENERGY: 168 21619.4182 19999.6889 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3351 -222325.8216 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9905 -2933.5976 921491.4634 -1735.9905 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1039 18891.7630 5743.5896 160.0071 -332124.2127 20943.2095 0.0000 0.0000 44722.5120 -222468.0276 162.6882 -267190.5396 -222127.3367 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3196 18664.1736 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2625 -222252.6194 155.3827 -264966.8818 -222125.5134 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7900 18733.9560 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9822 156.7902 -265416.1368 -222126.1319 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 85.9483, 0.469832/step Wall: 85.9483, 0.469832/step, 0.0417629 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: 183 22149.3486 19677.1533 5722.7616 169.5349 -332921.8733 21084.4911 0.0000 0.0000 41834.8235 -222283.7604 152.1836 -264118.5839 -222131.2587 152.1836 -1990.8045 -2626.5158 921491.4634 -1990.8045 -2626.5158
ENERGY: 184 18376.8755 19424.9914 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3090 163.2631 -267452.8618 -222144.6142 163.2631 -1576.6175 -2645.2274 921491.4634 -1576.6175 -2645.2274
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ENERGY: 186 19266.0406 19234.9570 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3691 161.4844 -266826.9578 -222129.2887 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2968 19471.4303 5678.7399 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0056 -222222.0800 154.4178 -264671.0857 -222130.9079 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 21700.3671 19122.7581 5714.1451 184.7200 -332668.2731 21129.4587 0.0000 0.0000 42574.3655 -222242.4586 154.8738 -264816.8241 -222086.7179 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0061 18800.3007 5711.3574 186.3640 -333385.4998 21161.1533 0.0000 0.0000 43911.2865 -222391.0319 159.7372 -266302.3184 -222090.4391 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.226
LDB: Largest compute 200 load 0.424974 is 1.2% of average load 36.596492
LDB: Average compute 0.051262 is 0.1% of average load 36.596492
LDB: TIME 101.228 LOAD: AVG 36.5965 MAX 37.6294 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.6 MB
LDB: TIME 101.23 LOAD: AVG 36.5965 MAX 37.4795 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.6 MB
LDB: ============== END OF LOAD BALANCING =============== 101.232
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.235
Info: Initial time: 4 CPUs 0.470511 s/step 5.44572 days/ns 3223.73 MB memory
TIMING: 200 CPU: 95.3543, 0.470303/step Wall: 95.3543, 0.470303/step, 0.0391919 hours remaining, 3223.734375 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 -334670.2813 21209.9247 0.0000 0.0000 45319.1602 -222569.9773 164.8586 -267889.1375 -222114.5246 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1030 18674.3333 5716.2802 191.4189 -334751.7133 21239.1340 0.0000 0.0000 43222.4696 -222327.9743 157.2315 -265550.4440 -222100.1080 157.2315 -4546.2005 -2661.1901 921491.4634 -4546.2005 -2661.1901
ENERGY: 202 23622.8117 18850.8450 5722.5980 192.1474 -334305.3008 21243.2751 0.0000 0.0000 42432.5589 -222241.0648 154.3580 -264673.6237 -222096.8292 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0390 5729.2400 192.0764 -333501.9374 21215.8253 0.0000 0.0000 44059.6988 -222431.1635 160.2771 -266490.8623 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9556 5734.1463 191.2124 -332722.2196 21188.8402 0.0000 0.0000 45629.4720 -222628.9806 165.9875 -268258.4527 -222116.6999 165.9875 452.9935 -2462.2928 921491.4634 452.9935 -2462.2928
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2547 21197.9185 0.0000 0.0000 44690.7149 -222526.2114 162.5725 -267216.9263 -222099.8057 162.5725 731.8537 -2447.6352 921491.4634 731.8537 -2447.6352
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ENERGY: 207 21693.8032 20338.2889 5726.5434 185.3060 -333603.9787 21289.9001 0.0000 0.0000 42143.6915 -222226.4456 153.3072 -264370.1371 -222103.0929 153.3072 -1896.3476 -2585.9681 921491.4634 -1896.3476 -2585.9681
ENERGY: 208 20293.2703 20371.8902 5718.1572 182.8654 -334789.2376 21322.2409 0.0000 0.0000 44428.6271 -222472.1864 161.6191 -266900.8135 -222122.6313 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6802 -222642.3814 168.3309 -268916.0616 -222106.7899 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 20194.2568 5705.3139 178.4614 -336615.7767 21385.1095 0.0000 0.0000 45251.4335 -222516.0280 164.6123 -267767.4615 -222108.2015 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7285 -222254.1127 156.5376 -265285.8412 -222106.8540 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0296 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1002 -2820.3211 921491.4634 -4424.1002 -2820.3211
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3117 -2725.0841 921491.4634 -2174.3117 -2725.0841
ENERGY: 214 17315.5529 19421.7449 5733.3059 176.6827 -333645.3935 21358.4485 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6685 -2626.0579 921491.4634 -143.6685 -2626.0579
ENERGY: 215 18210.5056 19441.9744 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5063 5756.9571 180.1770 -332560.1061 21436.4836 0.0000 0.0000 42442.1787 -222248.3317 154.3930 -264690.5104 -222073.6155 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4821 5762.2416 182.5517 -333010.6758 21497.2706 0.0000 0.0000 41983.6750 -222225.0681 152.7251 -264208.7432 -222064.4463 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5359 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.77, 0.4708/step Wall: 104.77, 0.4708/step, 0.0366178 hours remaining, 3223.734375 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: 238 19419.4414 19404.0884 5740.6977 175.0128 -333964.3155 21778.9044 0.0000 0.0000 44901.2438 -222544.9271 163.3384 -267446.1709 -222065.9779 163.3384 -987.6015 -2425.5311 921491.4634 -987.6015 -2425.5311
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TIMING: 240 CPU: 114.177, 0.470332/step Wall: 114.177, 0.470332/step, 0.0339684 hours remaining, 3223.734375 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 22110.7716 20111.8208 5758.5348 169.0441 -335904.8194 21831.0568 0.0000 0.0000 43526.8720 -222396.7194 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1688 -2633.0913 921491.4634 -4623.1688 -2633.0913
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0690 -222575.9244 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4504 -2614.6992 921491.4634 -3760.4504 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6006 21720.5676 0.0000 0.0000 45629.1663 -222554.1192 165.9864 -268183.2855 -222078.7768 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5944 21701.2470 0.0000 0.0000 44168.5249 -222360.5915 160.6730 -266529.1163 -222068.6363 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4183 -222284.3175 158.6063 -265884.7358 -222067.4293 158.6063 -1173.7929 -2523.3911 921491.4634 -1173.7929 -2523.3911
ENERGY: 247 19868.5287 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1913 -222431.6934 163.3782 -267343.8847 -222068.1391 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4296 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -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 21994.9041 20013.1599 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3721 -222425.8456 159.7157 -266331.2177 -222091.3305 159.7157 -3843.4680 -2758.0338 921491.4634 -3843.4680 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1807 21784.0537 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1272 -2735.8131 921491.4634 -3300.1272 -2735.8131
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ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9233 21746.1516 0.0000 0.0000 43667.4213 -222349.0410 158.8501 -266016.4623 -222078.3975 158.8501 -2282.5424 -2662.7813 921491.4634 -2282.5424 -2662.7813
ENERGY: 256 20899.4410 18950.9578 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1613 -222297.2434 157.0812 -265478.4047 -222071.2736 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5654 18878.1873 5681.1759 194.7976 -333481.0037 21780.2420 0.0000 0.0000 44488.5469 -222428.4887 161.8371 -266917.0356 -222060.1680 161.8371 -2035.5361 -2692.1441 921491.4634 -2035.5361 -2692.1441
ENERGY: 258 19453.5868 18882.0666 5673.2911 193.6684 -334373.1542 21817.5078 0.0000 0.0000 45796.2578 -222556.7758 166.5942 -268353.0336 -222062.0604 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.574, 0.469875/step Wall: 123.574, 0.469875/step, 0.031325 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9710 21924.4741 0.0000 0.0000 45349.7771 -222527.2802 164.9700 -267877.0572 -222051.1545 164.9700 -2647.8114 -2773.3902 921491.4634 -2647.8114 -2773.3902
ENERGY: 264 19385.2260 20436.4304 5710.6950 187.5052 -334855.9510 21907.7773 0.0000 0.0000 44751.4783 -222476.8386 162.7936 -267228.3170 -222069.1981 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0164 0.0000 0.0000 43607.6374 -222352.1119 158.6326 -265959.7493 -222054.3370 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8700 5712.1327 187.6137 -334399.4577 21914.4806 0.0000 0.0000 43399.3797 -222348.1910 157.8750 -265747.5707 -222054.3632 157.8750 -2130.7241 -2664.5956 921491.4634 -2130.7241 -2664.5956
ENERGY: 267 19648.0907 20691.2678 5707.0583 187.8501 -334831.4856 21930.8375 0.0000 0.0000 44220.2169 -222446.1644 160.8610 -266666.3812 -222055.6582 160.8610 -2435.4235 -2662.6783 921491.4634 -2435.4235 -2662.6783
ENERGY: 268 19962.9162 20375.7516 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5377 -222504.2922 163.0557 -267327.8299 -222075.9873 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 22028.8071 0.0000 0.0000 44308.0076 -222365.2736 161.1804 -266673.2812 -222067.0432 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4614 22015.0580 0.0000 0.0000 45607.7076 -222503.3107 165.9083 -268111.0184 -222081.1569 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0456 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
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ENERGY: 276 19401.8502 19594.7508 5701.2547 182.4904 -333292.1279 21971.0410 0.0000 0.0000 44028.5272 -222412.2136 160.1637 -266440.7408 -222072.9391 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2973 19724.7160 5695.5210 182.9396 -333864.3451 21997.2387 0.0000 0.0000 44632.8112 -222481.8214 162.3619 -267114.6326 -222061.0984 162.3619 -2311.7545 -2498.0544 921491.4634 -2311.7545 -2498.0544
ENERGY: 278 20199.4578 19713.7759 5686.9122 183.6585 -334821.1001 22041.3359 0.0000 0.0000 44532.2540 -222463.7057 161.9961 -266995.9598 -222063.4127 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9430 5677.5176 184.5187 -335888.5797 22096.4199 0.0000 0.0000 43975.0880 -222376.7275 159.9693 -266351.8156 -222065.2020 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 132.958, 0.469166/step Wall: 132.958, 0.469166/step, 0.0286713 hours remaining, 3224.039062 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 286 19396.6310 20966.5623 5721.5032 185.8230 -334658.1150 22176.6862 0.0000 0.0000 43785.6883 -222425.2210 159.2803 -266210.9093 -222054.0580 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1192 20856.7824 5731.9346 184.4714 -334918.1481 22200.2909 0.0000 0.0000 44282.9439 -222485.6057 161.0892 -266768.5496 -222055.7251 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
ENERGY: 288 20263.2090 20475.2852 5736.9558 182.7335 -335468.3150 22237.9036 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2279 -222066.9052 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.233
LDB: Largest compute 200 load 0.524341 is 1.1% of average load 45.719503
LDB: Average compute 0.064048 is 0.1% of average load 45.719503
LDB: TIME 148.235 LOAD: AVG 45.7195 MAX 46.9982 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 148.236 LOAD: AVG 45.7195 MAX 46.9982 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 148.251 LOAD: AVG 45.7195 MAX 46.2417 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 148.252
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.253
Info: Initial time: 4 CPUs 0.469718 s/step 5.43656 days/ns 3224.24 MB memory
TIMING: 300 CPU: 142.346, 0.469421/step Wall: 142.346, 0.469421/step, 0.0260789 hours remaining, 3224.238281 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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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: 151.566, 0.46101/step Wall: 151.566, 0.46101/step, 0.0230505 hours remaining, 3224.238281 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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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: 160.78, 0.460672/step Wall: 160.78, 0.460672/step, 0.0204743 hours remaining, 3224.238281 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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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: 169.987, 0.460372/step Wall: 169.987, 0.460372/step, 0.0179033 hours remaining, 3224.238281 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: 364 19323.8974 19612.6014 5699.8913 181.0103 -336175.1994 22790.5190 0.0000 0.0000 46034.3491 -222532.9309 167.4603 -268567.2800 -222068.5914 167.4603 -1420.0425 -2476.3757 921491.4634 -1420.0425 -2476.3757
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ENERGY: 368 20561.5939 19748.2121 5739.6691 179.8275 -335728.0875 22808.6649 0.0000 0.0000 44272.8409 -222417.2791 161.0524 -266690.1199 -222068.2910 161.0524 -2928.4888 -2487.3070 921491.4634 -2928.4888 -2487.3070
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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: 370 21302.3707 19815.7284 5738.6028 179.1429 -337296.0555 22846.3046 0.0000 0.0000 44920.4947 -222493.4114 163.4084 -267413.9061 -222062.2624 163.4084 -4081.4436 -2576.8190 921491.4634 -4081.4436 -2576.8190
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ENERGY: 376 19884.0274 19962.1763 5703.2010 181.1433 -335321.8628 22772.8697 0.0000 0.0000 44434.3279 -222384.1172 161.6399 -266818.4451 -222050.5526 161.6399 -874.6223 -2439.6903 921491.4634 -874.6223 -2439.6903
ENERGY: 377 20646.4610 20251.1592 5706.5521 182.3249 -335763.5798 22794.3769 0.0000 0.0000 43848.2756 -222334.4300 159.5080 -266182.7056 -222041.4010 159.5080 -1819.5859 -2472.4986 921491.4634 -1819.5859 -2472.4986
ENERGY: 378 20473.8101 20495.6594 5711.4639 183.2952 -336584.2275 22821.5833 0.0000 0.0000 44474.7538 -222423.6618 161.7869 -266898.4156 -222044.3964 161.7869 -2972.9874 -2523.3499 921491.4634 -2972.9874 -2523.3499
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TIMING: 380 CPU: 179.189, 0.460089/step Wall: 179.189, 0.460089/step, 0.0153363 hours remaining, 3224.238281 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: 383 21263.6992 19910.9247 5714.6670 180.7420 -337128.0225 22911.2841 0.0000 0.0000 44707.9446 -222438.7609 162.6352 -267146.7056 -222048.1878 162.6352 -2023.0803 -2294.0133 921491.4634 -2023.0803 -2294.0133
ENERGY: 384 19625.4113 19596.0355 5710.5349 179.0647 -336052.0483 22884.2529 0.0000 0.0000 45539.1835 -222517.5654 165.6590 -268056.7489 -222062.0921 165.6590 -569.2380 -2166.9359 921491.4634 -569.2380 -2166.9359
ENERGY: 385 19327.8182 19356.8914 5707.7752 177.4354 -335210.6398 22871.6139 0.0000 0.0000 45299.7172 -222469.3885 164.7879 -267769.1057 -222051.0989 164.7879 215.3513 -2064.3637 921491.4634 215.3513 -2064.3637
ENERGY: 386 19981.2275 19220.9467 5707.6638 175.9384 -334865.1814 22880.7953 0.0000 0.0000 44519.8586 -222378.7511 161.9510 -266898.6097 -222051.0433 161.9510 122.6667 -2011.2429 921491.4634 122.6667 -2011.2429
ENERGY: 387 20367.2862 19202.4847 5710.9355 174.6759 -335109.8722 22905.2739 0.0000 0.0000 44377.1816 -222372.0345 161.4320 -266749.2160 -222053.0045 161.4320 -738.9587 -2019.1690 921491.4634 -738.9587 -2019.1690
ENERGY: 388 20282.3987 19280.0169 5717.2935 173.7038 -335824.1517 22938.2896 0.0000 0.0000 44972.7762 -222459.6729 163.5986 -267432.4491 -222067.4816 163.5986 -2063.8556 -2076.2822 921491.4634 -2063.8556 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8116 20133.3592 5716.9814 176.0456 -336812.3375 23014.0582 0.0000 0.0000 45592.7322 -222486.3492 165.8538 -268079.0815 -222045.7218 165.8538 -1710.2239 -2443.6967 921491.4634 -1710.2239 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 194.302
LDB: Largest compute 230 load 0.528386 is 1.2% of average load 45.621397
LDB: Average compute 0.063887 is 0.1% of average load 45.621397
LDB: TIME 194.304 LOAD: AVG 45.6214 MAX 46.0492 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 194.305 LOAD: AVG 45.6214 MAX 46.0492 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 194.305 LOAD: AVG 45.6214 MAX 46.0492 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 194.305
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.306
Info: Benchmark time: 4 CPUs 0.460432 s/step 5.32907 days/ns 3224.24 MB memory
TIMING: 400 CPU: 188.393, 0.460213/step Wall: 188.393, 0.460213/step, 0.0127837 hours remaining, 3224.238281 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: 403 20784.9695 19778.4829 5715.7218 174.2695 -337239.9784 23077.8400 0.0000 0.0000 45225.5965 -222483.0982 164.5183 -267708.6947 -222046.6852 164.5183 -3613.5979 -2605.7429 921491.4634 -3613.5979 -2605.7429
ENERGY: 404 19687.5953 19735.4030 5713.8114 175.5084 -336169.1140 23038.2898 0.0000 0.0000 45313.8395 -222504.6665 164.8393 -267818.5060 -222060.2367 164.8393 -1967.0748 -2494.0440 921491.4634 -1967.0748 -2494.0440
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ENERGY: 408 19735.8470 19387.6644 5692.2152 187.5226 -335902.8219 23017.8172 0.0000 0.0000 45394.4124 -222487.3431 165.1324 -267881.7555 -222063.5311 165.1324 -920.8283 -2294.1558 921491.4634 -920.8283 -2294.1558
ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6847 23057.9921 0.0000 0.0000 45733.6061 -222498.8703 166.3663 -268232.4764 -222051.6704 166.3663 -2367.4921 -2346.9327 921491.4634 -2367.4921 -2346.9327
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1417 20138.5248 5699.9334 199.7191 -337872.5317 23125.1115 0.0000 0.0000 45113.2144 -222465.8867 164.1095 -267579.1011 -222055.3451 164.1095 -3850.6269 -2398.9549 921491.4634 -3850.6269 -2398.9549
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ENERGY: 415 19745.2668 20572.1260 5708.7452 198.1487 -336456.1972 23071.1990 0.0000 0.0000 44733.2274 -222427.4842 162.7272 -267160.7116 -222049.0344 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3170 20661.9897 5710.0857 195.6953 -336157.5860 23063.1713 0.0000 0.0000 44200.2851 -222384.0418 160.7885 -266584.3269 -222052.9641 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3750 20631.3210 5709.0494 192.4696 -336373.1074 23072.1096 0.0000 0.0000 44338.4621 -222398.3207 161.2911 -266736.7828 -222044.6990 161.2911 -112.4554 -2227.1700 921491.4634 -112.4554 -2227.1700
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7866 23098.6724 0.0000 0.0000 44915.1425 -222450.9776 163.3889 -267366.1201 -222046.7090 163.3889 -671.8546 -2269.9922 921491.4634 -671.8546 -2269.9922
ENERGY: 419 20790.7631 20185.5525 5700.4811 184.6054 -337717.8755 23139.8021 0.0000 0.0000 45250.3103 -222466.3610 164.6082 -267716.6714 -222049.5947 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.569, 0.458776/step Wall: 197.569, 0.458776/step, 0.010195 hours remaining, 3224.238281 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: 423 21418.8986 19324.4276 5689.6736 172.2146 -337416.8958 23180.6036 0.0000 0.0000 45183.9715 -222447.1063 164.3669 -267631.0777 -222051.5232 164.3669 -3955.8309 -2434.9307 921491.4634 -3955.8309 -2434.9307
ENERGY: 424 20531.3311 19270.7819 5692.6543 170.6563 -336406.2764 23140.4642 0.0000 0.0000 45151.0459 -222449.3428 164.2471 -267600.3887 -222060.4124 164.2471 -3030.1610 -2370.2033 921491.4634 -3030.1610 -2370.2033
ENERGY: 425 19942.3362 19314.5611 5697.3263 169.6877 -335607.5206 23103.7916 0.0000 0.0000 44956.0483 -222423.7694 163.5377 -267379.8177 -222050.7960 163.5377 -1980.9654 -2297.0090 921491.4634 -1980.9654 -2297.0090
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ENERGY: 427 19598.5317 19595.2899 5707.1504 168.7509 -335498.4318 23074.5003 0.0000 0.0000 44915.2779 -222438.9307 163.3894 -267354.2086 -222048.7335 163.3894 -741.9009 -2207.6355 921491.4634 -741.9009 -2207.6355
ENERGY: 428 20140.4228 19760.4171 5710.4629 168.5259 -336199.9851 23087.7673 0.0000 0.0000 44884.2599 -222448.1294 163.2766 -267332.3893 -222058.0546 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 22013.9872 20024.3737 5712.1700 168.1897 -338096.9202 23149.4488 0.0000 0.0000 44626.3103 -222402.4403 162.3383 -267028.7507 -222047.3912 162.3383 -2472.2457 -2268.0465 921491.4634 -2472.2457 -2268.0465
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ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2100 23176.0841 0.0000 0.0000 45177.9912 -222461.6285 164.3451 -267639.6198 -222065.9058 164.3451 -3350.2745 -2296.1499 921491.4634 -3350.2745 -2296.1499
ENERGY: 433 21200.9073 20275.9664 5710.3763 168.4633 -338164.0636 23162.2906 0.0000 0.0000 45192.9286 -222453.1311 164.3995 -267646.0598 -222052.5982 164.3995 -3187.3736 -2272.1278 921491.4634 -3187.3736 -2272.1278
ENERGY: 434 20730.3413 20338.1499 5711.6061 169.3247 -337394.2704 23140.7731 0.0000 0.0000 44883.1000 -222420.9752 163.2724 -267304.0752 -222051.1463 163.2724 -2694.3111 -2227.7887 921491.4634 -2694.3111 -2227.7887
ENERGY: 435 20235.2202 20362.4015 5714.0003 170.8455 -336680.6555 23123.4094 0.0000 0.0000 44675.9842 -222398.7945 162.5190 -267074.7786 -222049.5889 162.5190 -2061.3584 -2179.8953 921491.4634 -2061.3584 -2179.8953
ENERGY: 436 19670.9243 20349.9982 5717.2346 173.0864 -336303.8810 23119.9074 0.0000 0.0000 44847.0986 -222425.6315 163.1414 -267272.7301 -222059.6957 163.1414 -1520.6598 -2145.1618 921491.4634 -1520.6598 -2145.1618
ENERGY: 437 19434.5517 20329.5093 5720.9894 175.9827 -336411.9784 23136.3865 0.0000 0.0000 45159.2690 -222455.2899 164.2770 -267614.5588 -222050.7501 164.2770 -1319.1169 -2134.4849 921491.4634 -1319.1169 -2134.4849
ENERGY: 438 19935.1533 20278.6097 5724.6884 179.3849 -336899.4576 23173.5516 0.0000 0.0000 45148.1327 -222459.9371 164.2365 -267608.0698 -222051.5666 164.2365 -1493.0941 -2145.0882 921491.4634 -1493.0941 -2145.0882
ENERGY: 439 21052.7407 20184.4298 5727.7929 183.0561 -337561.7720 23224.7480 0.0000 0.0000 44760.8214 -222428.1831 162.8276 -267189.0045 -222052.7963 162.8276 -1936.1989 -2169.8748 921491.4634 -1936.1989 -2169.8748
TIMING: 440 CPU: 206.74, 0.458533/step Wall: 206.74, 0.458533/step, 0.00764222 hours remaining, 3224.238281 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
ENERGY: 440 22071.5684 20036.2375 5729.7527 186.7202 -338123.1807 23276.2484 0.0000 0.0000 44417.5461 -222405.1075 161.5788 -266822.6536 -222059.4769 161.5788 -2408.4612 -2197.9671 921491.4634 -2408.4612 -2197.9671
ENERGY: 441 22355.5487 19860.0413 5730.3488 190.1146 -338361.1717 23313.2043 0.0000 0.0000 44502.6965 -222409.2175 161.8886 -266911.9140 -222050.0856 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6120 19664.5353 5729.4854 192.9412 -338090.1535 23327.1567 0.0000 0.0000 44880.6320 -222441.7910 163.2634 -267322.4230 -222049.7751 163.2634 -2710.5576 -2229.0695 921491.4634 -2710.5576 -2229.0695
ENERGY: 443 21064.3317 19487.0726 5727.6165 194.9329 -337369.3153 23320.0157 0.0000 0.0000 45118.1107 -222457.2350 164.1273 -267575.3458 -222048.5992 164.1273 -2448.1649 -2220.3530 921491.4634 -2448.1649 -2220.3530
ENERGY: 444 20449.3364 19357.2693 5725.4095 195.8735 -336464.1928 23301.5276 0.0000 0.0000 44987.7177 -222447.0588 163.6530 -267434.7765 -222057.9798 163.6530 -2090.2101 -2206.4399 921491.4634 -2090.2101 -2206.4399
ENERGY: 445 20125.5609 19307.2519 5723.6513 195.6942 -335759.3919 23283.8139 0.0000 0.0000 44708.7155 -222414.7041 162.6380 -267123.4197 -222046.5428 162.6380 -1846.9626 -2201.6925 921491.4634 -1846.9626 -2201.6925
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5711 23276.0452 0.0000 0.0000 44620.2945 -222408.7839 162.3164 -267029.0783 -222046.1620 162.3164 -1800.7517 -2216.7293 921491.4634 -1800.7517 -2216.7293
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4401 23282.7459 0.0000 0.0000 44816.5086 -222425.8050 163.0301 -267242.3136 -222046.8343 163.0301 -1993.3110 -2253.0602 921491.4634 -1993.3110 -2253.0602
ENERGY: 448 20187.5921 19583.6798 5722.5764 188.5554 -336503.1798 23303.8906 0.0000 0.0000 45065.6672 -222451.2182 163.9365 -267516.8855 -222059.3478 163.9365 -2372.1875 -2303.7896 921491.4634 -2372.1875 -2303.7896
ENERGY: 449 20877.4059 19832.6983 5723.5712 184.8596 -337500.9068 23334.5925 0.0000 0.0000 45101.1675 -222446.6116 164.0657 -267547.7792 -222047.7096 164.0657 -2827.1077 -2356.1405 921491.4634 -2827.1077 -2356.1405
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4853 20108.1297 5724.4776 181.0898 -338419.3245 23364.6245 0.0000 0.0000 44854.3093 -222432.2083 163.1676 -267286.5176 -222048.7857 163.1676 -3116.6754 -2394.3894 921491.4634 -3116.6754 -2394.3894
ENERGY: 451 22355.5903 20357.7252 5724.7144 177.6517 -338952.0903 23381.8009 0.0000 0.0000 44542.6981 -222411.9097 162.0341 -266954.6079 -222048.8243 162.0341 -3074.2531 -2405.7795 921491.4634 -3074.2531 -2405.7795
ENERGY: 452 22246.2016 20536.0131 5723.8953 174.8859 -338927.1535 23378.0946 0.0000 0.0000 44452.9190 -222415.1440 161.7075 -266868.0631 -222059.6371 161.7075 -2659.9606 -2384.7567 921491.4634 -2659.9606 -2384.7567
ENERGY: 453 21399.8727 20641.1308 5722.2878 173.1350 -338392.7932 23354.5910 0.0000 0.0000 44683.7028 -222418.0731 162.5470 -267101.7759 -222043.5372 162.5470 -2048.3339 -2342.4667 921491.4634 -2048.3339 -2342.4667
ENERGY: 454 20248.3381 20654.1371 5720.2217 172.3637 -337567.1413 23320.6904 0.0000 0.0000 45008.1461 -222443.2442 163.7273 -267451.3903 -222041.8392 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7906 20584.7118 5718.4844 172.5169 -336790.6451 23290.4026 0.0000 0.0000 45086.5784 -222451.1604 164.0126 -267537.7388 -222040.8571 164.0126 -1151.8824 -2255.8571 921491.4634 -1151.8824 -2255.8571
ENERGY: 456 19493.3721 20440.6799 5717.7556 173.4248 -336350.1071 23274.9633 0.0000 0.0000 44811.4722 -222438.4391 163.0118 -267249.9113 -222055.3482 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4929 20251.9435 5718.5580 174.9241 -336395.8162 23277.8277 0.0000 0.0000 44521.8702 -222403.1998 161.9583 -266925.0700 -222049.4128 161.9583 -1906.4162 -2263.5011 921491.4634 -1906.4162 -2263.5011
ENERGY: 458 20585.8434 20019.2724 5720.7061 176.6081 -336835.0958 23294.7175 0.0000 0.0000 44632.7888 -222405.1595 162.3618 -267037.9483 -222051.2818 162.3618 -2684.6984 -2301.0426 921491.4634 -2684.6984 -2301.0426
ENERGY: 459 20903.4945 19784.9692 5724.0021 178.1985 -337468.1644 23318.6984 0.0000 0.0000 45113.9368 -222444.8648 164.1121 -267558.8016 -222053.1407 164.1121 -3350.5829 -2341.5795 921491.4634 -3350.5829 -2341.5795
TIMING: 460 CPU: 215.905, 0.458295/step Wall: 215.905, 0.458295/step, 0.00509216 hours remaining, 3224.238281 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
ENERGY: 460 21262.6139 19597.9067 5728.0972 179.4910 -338014.3772 23341.8002 0.0000 0.0000 45423.8568 -222480.6114 165.2395 -267904.4682 -222064.6834 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
ENERGY: 461 21862.8763 19507.1079 5732.5753 180.4333 -338251.6222 23355.3935 0.0000 0.0000 45154.6141 -222458.6217 164.2601 -267613.2358 -222058.0505 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2257 19487.8113 5736.4823 180.9531 -337988.7176 23351.1086 0.0000 0.0000 44559.9295 -222408.2072 162.0968 -266968.1367 -222056.7212 162.0968 -2954.8202 -2323.4252 921491.4634 -2954.8202 -2323.4252
ENERGY: 463 21821.1793 19513.9019 5738.9361 181.1160 -337284.1035 23326.9476 0.0000 0.0000 44313.4576 -222388.5650 161.2002 -266702.0226 -222054.6240 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2462 19559.9275 5739.2518 181.0096 -336389.3845 23291.1940 0.0000 0.0000 44654.0273 -222428.7281 162.4391 -267082.7554 -222058.5725 162.4391 -1050.9228 -2205.5269 921491.4634 -1050.9228 -2205.5269
ENERGY: 465 19322.7828 19631.8856 5737.2899 180.7155 -335701.1538 23259.7389 0.0000 0.0000 45094.5695 -222474.1716 164.0417 -267568.7411 -222052.9384 164.0417 -512.3347 -2174.4009 921491.4634 -512.3347 -2174.4009
ENERGY: 466 19088.4512 19708.3582 5733.2107 180.2808 -335443.7729 23245.0601 0.0000 0.0000 45020.7915 -222467.6203 163.7733 -267488.4118 -222052.9782 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8071 19783.1743 5727.6704 179.7757 -335721.0953 23249.4527 0.0000 0.0000 44523.6673 -222415.5479 161.9649 -266939.2152 -222054.3491 161.9649 -1393.6029 -2232.5925 921491.4634 -1393.6029 -2232.5925
ENERGY: 468 20761.8482 19845.4942 5721.5090 179.2779 -336451.5669 23265.8122 0.0000 0.0000 44291.6593 -222385.9661 161.1209 -266677.6254 -222056.3589 161.1209 -2508.6715 -2314.1342 921491.4634 -2508.6715 -2314.1342
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3205 23284.3958 0.0000 0.0000 44720.3211 -222412.5671 162.6802 -267132.8882 -222046.0748 162.6802 -3596.7407 -2405.7974 921491.4634 -3596.7407 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1732 19972.8934 5710.9491 178.5947 -338383.2511 23297.0669 0.0000 0.0000 45346.4583 -222466.1155 164.9580 -267812.5738 -222047.6087 164.9580 -4259.6998 -2477.6833 921491.4634 -4259.6998 -2477.6833
ENERGY: 471 21732.8680 20054.6835 5707.9627 178.5890 -338913.2456 23297.5081 0.0000 0.0000 45471.3374 -222470.2969 165.4122 -267941.6343 -222047.5357 165.4122 -4290.5687 -2504.3178 921491.4634 -4290.5687 -2504.3178
ENERGY: 472 22081.2364 20161.5551 5707.0091 178.9047 -338870.6769 23279.4487 0.0000 0.0000 45028.5303 -222433.9926 163.8014 -267462.5228 -222059.5055 163.8014 -3659.7365 -2479.9186 921491.4634 -3659.7365 -2479.9186
ENERGY: 473 21866.1364 20289.3426 5707.9843 179.6165 -338307.7192 23240.7360 0.0000 0.0000 44634.5179 -222389.3856 162.3681 -267023.9034 -222043.8536 162.3681 -2556.3620 -2408.1660 921491.4634 -2556.3620 -2408.1660
ENERGY: 474 20842.9705 20372.0986 5710.2161 180.7466 -337438.4552 23189.2344 0.0000 0.0000 44733.2312 -222409.9578 162.7272 -267143.1890 -222041.2616 162.7272 -1295.5528 -2316.2730 921491.4634 -1295.5528 -2316.2730
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2311 23142.3814 0.0000 0.0000 45070.2142 -222450.4213 163.9531 -267520.6355 -222039.4526 163.9531 -344.6451 -2232.2128 921491.4634 -344.6451 -2232.2128
ENERGY: 476 19235.7862 20282.0273 5715.7683 184.0125 -336100.0901 23115.8463 0.0000 0.0000 45106.0636 -222460.5858 164.0835 -267566.6494 -222053.6135 164.0835 -92.4050 -2183.0654 921491.4634 -92.4050 -2183.0654
ENERGY: 477 19704.7251 20145.9812 5718.4976 185.9230 -336101.8786 23114.2936 0.0000 0.0000 44812.3209 -222420.1372 163.0149 -267232.4581 -222044.8408 163.0149 -667.4946 -2171.8230 921491.4634 -667.4946 -2171.8230
ENERGY: 478 20493.4777 19974.7637 5721.0254 187.7262 -336537.4033 23131.2457 0.0000 0.0000 44627.0334 -222402.1312 162.3409 -267029.1646 -222047.4104 162.3409 -1807.1604 -2198.7957 921491.4634 -1807.1604 -2198.7957
ENERGY: 479 21125.3057 19793.3955 5723.3295 189.2099 -337215.5835 23156.6769 0.0000 0.0000 44802.1580 -222425.5080 162.9779 -267227.6659 -222050.5457 162.9779 -3089.8516 -2246.7918 921491.4634 -3089.8516 -2246.7918
TIMING: 480 CPU: 225.068, 0.458139/step Wall: 225.068, 0.458139/step, 0.00254521 hours remaining, 3224.238281 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
ENERGY: 480 21624.0327 19623.1964 5725.3111 190.1901 -337854.6783 23181.5115 0.0000 0.0000 45051.6816 -222458.7549 163.8856 -267510.4365 -222064.6208 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4855 19510.0433 5727.0953 190.6351 -338199.2479 23196.7956 0.0000 0.0000 45041.3368 -222440.8562 163.8480 -267482.1930 -222052.5264 163.8480 -4466.2395 -2305.6733 921491.4634 -4466.2395 -2305.6733
ENERGY: 482 22186.3469 19466.6795 5728.4964 190.3598 -338044.5417 23192.7472 0.0000 0.0000 44865.8520 -222414.0599 163.2096 -267279.9119 -222051.4111 163.2096 -4059.3099 -2278.0615 921491.4634 -4059.3099 -2278.0615
ENERGY: 483 21553.1415 19511.5746 5729.5661 189.3227 -337426.2184 23165.8738 0.0000 0.0000 44861.8970 -222414.8428 163.1953 -267276.7398 -222048.7671 163.1953 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8926 19631.1941 5730.2465 187.5455 -336590.8883 23126.1349 0.0000 0.0000 45003.6033 -222451.2714 163.7107 -267454.8747 -222059.8739 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5865 23092.8468 0.0000 0.0000 44955.5726 -222449.3243 163.5360 -267404.8969 -222045.9603 163.5360 -422.1569 -2086.8736 921491.4634 -422.1569 -2086.8736
ENERGY: 486 19602.5428 19954.8178 5729.7198 182.4662 -335612.3568 23080.3806 0.0000 0.0000 44645.9117 -222416.5179 162.4096 -267062.4295 -222044.6758 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0927 20072.0214 5727.4348 179.4360 -335846.4482 23091.0543 0.0000 0.0000 44503.3494 -222392.0597 161.8910 -266895.4090 -222045.2404 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2100 20156.1362 5723.5441 176.4338 -336552.5454 23118.8616 0.0000 0.0000 44827.0558 -222425.3040 163.0685 -267252.3597 -222057.1937 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8872 20236.4610 5718.5749 173.8639 -337540.4659 23156.7310 0.0000 0.0000 45266.1007 -222461.8472 164.6656 -267727.9479 -222045.6085 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 21410.7491 20292.9022 5712.8913 171.8438 -338458.1365 23196.4878 0.0000 0.0000 45213.5632 -222459.6992 164.4745 -267673.2624 -222048.2207 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4642 20312.1361 5707.3795 170.5404 -338984.5798 23226.0938 0.0000 0.0000 44733.0091 -222404.9567 162.7264 -267137.9658 -222049.4637 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9550 20289.6811 5702.9945 170.0208 -338937.5820 23232.7206 0.0000 0.0000 44542.1951 -222387.0150 162.0323 -266929.2101 -222060.3859 162.0323 -4606.8527 -2557.4730 921491.4634 -4606.8527 -2557.4730
ENERGY: 493 21558.2189 20260.7374 5700.7779 170.3201 -338358.0637 23214.0538 0.0000 0.0000 45033.8231 -222420.1325 163.8207 -267453.9556 -222046.5899 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3365 20225.0262 5700.9806 171.2193 -337454.3837 23183.0797 0.0000 0.0000 45622.2477 -222483.4938 165.9612 -268105.7415 -222044.0866 165.9612 -2500.8992 -2482.1069 921491.4634 -2500.8992 -2482.1069
ENERGY: 495 19383.2461 20186.8302 5703.5926 172.5416 -336566.9888 23159.4627 0.0000 0.0000 45484.1232 -222477.1924 165.4587 -267961.3156 -222041.5562 165.4587 -1249.6836 -2407.3056 921491.4634 -1249.6836 -2407.3056
ENERGY: 496 19722.4833 20130.6473 5708.0351 174.0933 -335998.7156 23154.2638 0.0000 0.0000 44699.5271 -222409.6657 162.6046 -267109.1928 -222049.0667 162.6046 -478.8994 -2343.4749 921491.4634 -478.8994 -2343.4749
ENERGY: 497 20212.6668 20059.9177 5713.4613 175.7242 -335952.5044 23166.3548 0.0000 0.0000 44261.0289 -222363.3507 161.0095 -266624.3796 -222042.7497 161.0095 -421.0229 -2316.7927 921491.4634 -421.0229 -2316.7927
ENERGY: 498 20182.0166 19957.1216 5718.5597 177.2604 -336366.4937 23189.3588 0.0000 0.0000 44728.2535 -222413.9230 162.7091 -267142.1766 -222044.5217 162.7091 -993.4677 -2331.6471 921491.4634 -993.4677 -2331.6471
ENERGY: 499 20158.0680 19847.7310 5722.4090 178.6361 -337058.4830 23219.2407 0.0000 0.0000 45439.2646 -222493.1336 165.2956 -267932.3982 -222047.2059 165.2956 -2020.8686 -2376.3389 921491.4634 -2020.8686 -2376.3389
Info: Benchmark time: 4 CPUs 0.457645 s/step 5.29682 days/ns 3224.24 MB memory
TIMING: 500 CPU: 234.158, 0.454492/step Wall: 234.158, 0.454492/step, 0 hours remaining, 3224.238281 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
ENERGY: 500 20974.8939 19756.6586 5724.4523 179.8271 -337741.4203 23251.1012 0.0000 0.0000 45359.0779 -222495.4093 165.0039 -267854.4872 -222061.0911 165.0039 -3197.5170 -2425.4142 921491.4634 -3197.5170 -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, 3229.152 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.152 MB of memory in use
====================================================
WallClock: 240.958984 CPUTime: 240.958984 Memory: 3229.152344 MB
[Partition 0][Node 0] End of program
Application 109782457 resources: utime ~947s, stime ~19s, Rss ~126780, inblocks ~67012, outblocks ~72240
Displaying status file:
verified
WALL=240.958984
CPU=240.958984
MEM=3229.152344
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins12726225072010062449.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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