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 ============== 54.5107
LDB: Largest compute 200 load 0.429727 is 1.2% of average load 36.828788
LDB: Average compute 0.051595 is 0.1% of average load 36.828788
LDB: Partitioning computes with target load 3.682879
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055773
LDB: ============== END OF LOAD BALANCING =============== 54.5128
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.5137
Info: Initial time: 4 CPUs 0.473828 s/step 5.48412 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.3554, 0.472868/step Wall: 48.3554, 0.472868/step, 0.0525409 hours remaining, 3221.578125 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 ============== 63.9498
LDB: ============== END OF LOAD BALANCING =============== 63.9498
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.9503
TIMING: 120 CPU: 57.7885, 0.471655/step Wall: 57.7885, 0.471655/step, 0.0497858 hours remaining, 3221.750000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7054 -2927.3525 921491.4634 -2704.7054 -2927.3525
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TIMING: 140 CPU: 67.2195, 0.471546/step Wall: 67.2195, 0.471546/step, 0.0471546 hours remaining, 3221.890625 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 -333726.9444 21127.4061 0.0000 0.0000 45144.2513 -222551.1435 164.2224 -267695.3948 -222224.0363 164.2224 -5617.7628 -3080.3639 921491.4634 -5617.7628 -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: 76.6364, 0.470847/step Wall: 76.6364, 0.470847/step, 0.0444689 hours remaining, 3222.187500 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8126 18508.1492 5697.2826 183.0024 -333202.6495 20887.8856 0.0000 0.0000 43070.6067 -222342.9103 156.6790 -265413.5170 -222161.4905 156.6790 -5004.1555 -2859.8870 921491.4634 -5004.1555 -2859.8870
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8222 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7466 -222160.7800 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6888 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7709 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2129 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2413 20981.6518 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2976 21015.2133 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.041, 0.470231/step Wall: 86.041, 0.470231/step, 0.0417983 hours remaining, 3222.187500 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: 184 18376.8755 19424.9913 5710.5468 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8619 -222144.6143 163.2631 -1576.6175 -2645.2273 921491.4634 -1576.6175 -2645.2273
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ENERGY: 186 19266.0406 19234.9569 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4731 -2731.4262 921491.4634 -2596.4731 -2731.4262
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0055 -222222.0802 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3654 -222242.4590 154.8738 -264816.8243 -222086.7182 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3186 -222090.4394 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.61
LDB: Largest compute 200 load 0.424994 is 1.2% of average load 36.644791
LDB: Average compute 0.051337 is 0.1% of average load 36.644791
LDB: TIME 101.612 LOAD: AVG 36.6448 MAX 37.6593 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 101.614 LOAD: AVG 36.6448 MAX 37.6281 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 101.616
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.619
Info: Initial time: 4 CPUs 0.470913 s/step 5.45038 days/ns 3224.07 MB memory
TIMING: 200 CPU: 95.4566, 0.470777/step Wall: 95.4566, 0.470777/step, 0.0392314 hours remaining, 3224.074219 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 18595.6348 5711.8747 190.0258 -334670.2812 21209.9248 0.0000 0.0000 45319.1600 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1031 18674.3332 5716.2802 191.4189 -334751.7132 21239.1341 0.0000 0.0000 43222.4694 -222327.9744 157.2315 -265550.4437 -222100.1080 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8117 18850.8449 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5586 -222241.0648 154.3580 -264673.6235 -222096.8292 154.3580 -3005.0519 -2588.0014 921491.4634 -3005.0519 -2588.0014
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9373 21215.8254 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8621 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2200 21188.8403 0.0000 0.0000 45629.4719 -222628.9812 165.9875 -268258.4530 -222116.7004 165.9875 452.9933 -2462.2929 921491.4634 452.9933 -2462.2929
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7148 -222526.2119 162.5725 -267216.9267 -222099.8063 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8032 20338.2890 5726.5434 185.3060 -333603.9793 21289.9002 0.0000 0.0000 42143.6913 -222226.4462 153.3072 -264370.1375 -222103.0935 153.3072 -1896.3477 -2585.9682 921491.4634 -1896.3477 -2585.9682
ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2379 21322.2410 0.0000 0.0000 44428.6270 -222472.1867 161.6191 -266900.8137 -222122.6316 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2415 21349.5045 0.0000 0.0000 46273.6801 -222642.3817 168.3309 -268916.0618 -222106.7902 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 21385.1736 20194.2569 5705.3139 178.4614 -336615.7771 21385.1096 0.0000 0.0000 45251.4334 -222516.0283 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1930 19985.8632 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7284 -222254.1130 156.5376 -265285.8414 -222106.8543 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2711 19730.8223 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1637 -222249.7025 156.4046 -265244.8663 -222104.2318 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7805 -222504.4446 165.2210 -267923.2252 -222097.3834 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3935 21358.4486 0.0000 0.0000 46958.4702 -222681.1884 170.8220 -269639.6586 -222093.7406 170.8220 -143.6684 -2626.0578 921491.4634 -143.6684 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3320 21379.5596 0.0000 0.0000 45302.6745 -222527.8916 164.7987 -267830.5661 -222091.0446 164.7987 784.0016 -2554.0367 921491.4634 784.0016 -2554.0367
ENERGY: 216 20973.4717 19522.5061 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3867 19581.4819 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4464 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0889 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.895, 0.471915/step Wall: 104.895, 0.471915/step, 0.0367045 hours remaining, 3224.074219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 240 CPU: 114.327, 0.471585/step Wall: 114.327, 0.471585/step, 0.034059 hours remaining, 3224.074219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8207 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8719 -222396.7195 158.3388 -265923.5914 -222063.5735 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6444 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6009 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2368 19811.7599 5725.7785 171.4559 -334087.5946 21701.2470 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7025 5716.8932 174.1558 -334213.1206 21705.0850 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7361 -222067.4296 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1843 21719.8454 0.0000 0.0000 44912.1913 -222431.6937 163.3782 -267343.8850 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1355 21746.4310 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2676 21826.9295 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2176 -222091.3305 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8637 19667.1121 5729.5496 195.2411 -334977.1805 21784.0536 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3603 -222082.7205 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2294 5720.5008 195.9622 -333839.8795 21752.6524 0.0000 0.0000 45220.9194 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2311 19109.4099 5707.6062 196.0620 -333099.9229 21746.1515 0.0000 0.0000 43667.4211 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9576 5693.4518 195.6570 -332975.5970 21757.6848 0.0000 0.0000 43181.1612 -222297.2438 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1871 5681.1759 194.7976 -333481.0037 21780.2419 0.0000 0.0000 44488.5468 -222428.4891 161.8371 -266917.0359 -222060.1684 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0664 5673.2911 193.6684 -334373.1543 21817.5077 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7710 18984.1027 5671.3007 192.3773 -335369.5276 21871.0066 0.0000 0.0000 45431.1554 -222501.8139 165.2661 -267932.9693 -222063.7306 165.2661 -2890.3671 -2780.4961 921491.4634 -2890.3671 -2780.4961
TIMING: 260 CPU: 123.749, 0.471109/step Wall: 123.749, 0.471109/step, 0.0314073 hours remaining, 3224.378906 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 22744.9544 19188.2461 5675.1875 191.0393 -336169.7729 21924.7893 0.0000 0.0000 44083.4305 -222362.1258 160.3634 -266445.5562 -222069.6814 160.3634 -3407.4794 -2810.9878 921491.4634 -3407.4794 -2810.9878
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ENERGY: 262 21606.2725 19814.6777 5694.0656 188.7122 -336291.7861 21947.6074 0.0000 0.0000 44601.6346 -222438.8162 162.2485 -267040.4508 -222052.4325 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1229 20140.5622 5703.8103 187.9445 -335614.9715 21924.4740 0.0000 0.0000 45349.7771 -222527.2806 164.9700 -267877.0577 -222051.1549 164.9700 -2647.8115 -2773.3903 921491.4634 -2647.8115 -2773.3903
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9512 21907.7772 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3173 -222069.1984 162.7936 -2191.1926 -2723.5294 921491.4634 -2191.1926 -2723.5294
ENERGY: 265 19946.8415 20681.9926 5713.6241 187.4392 -334395.6633 21906.0163 0.0000 0.0000 43607.6374 -222352.1121 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0572 -2683.6035 921491.4634 -2038.0572 -2683.6035
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4578 21914.4805 0.0000 0.0000 43399.3796 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4857 21930.8374 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6585 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7517 5700.1930 187.9286 -335513.7452 21959.1257 0.0000 0.0000 44823.5376 -222504.2926 163.0557 -267327.8302 -222075.9876 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7814 19927.1703 5694.0390 187.7639 -336221.0664 21997.2161 0.0000 0.0000 44586.5098 -222431.5860 162.1935 -267018.0957 -222066.1975 162.1935 -3401.4129 -2647.2949 921491.4634 -3401.4129 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9168 5690.3173 187.1618 -336650.6777 22028.8071 0.0000 0.0000 44308.0074 -222365.2739 161.1804 -266673.2813 -222067.0436 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
ENERGY: 271 22345.5824 19078.8065 5690.0209 186.1610 -336571.7894 22035.2501 0.0000 0.0000 44829.4471 -222406.5213 163.0772 -267235.9685 -222066.8387 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0660 5692.8269 184.9335 -335921.4613 22015.0580 0.0000 0.0000 45607.7075 -222503.3109 165.9083 -268111.0184 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9079 5697.5118 183.8526 -334925.7009 21985.5296 0.0000 0.0000 45502.7160 -222499.9694 165.5264 -268002.6854 -222069.0458 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 275 20005.4317 19374.0678 5703.3424 182.5376 -333318.5599 21960.8300 0.0000 0.0000 43741.9681 -222350.3823 159.1213 -266092.3505 -222065.7691 159.1213 -1269.7929 -2374.8868 921491.4634 -1269.7929 -2374.8868
ENERGY: 276 19401.8501 19594.7506 5701.2547 182.4904 -333292.1278 21971.0410 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1299 -2417.6040 921491.4634 -1580.1299 -2417.6040
ENERGY: 277 19149.2971 19724.7158 5695.5210 182.9396 -333864.3451 21997.2387 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6328 -222061.0988 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1002 22041.3359 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9429 5677.5176 184.5187 -335888.5800 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.155, 0.470299/step Wall: 133.155, 0.470299/step, 0.0287405 hours remaining, 3224.378906 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7899 19615.5379 5669.9796 186.8360 -336942.5036 22176.7655 0.0000 0.0000 45823.3371 -222526.2577 166.6927 -268349.5948 -222063.3315 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6615 5678.8137 187.1634 -336251.9203 22171.0649 0.0000 0.0000 45328.8521 -222487.2586 164.8939 -267816.1107 -222060.8459 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
ENERGY: 284 20506.3999 20401.8823 5692.0830 187.1346 -335412.6303 22166.2910 0.0000 0.0000 44071.4481 -222387.3915 160.3198 -266458.8395 -222061.5540 160.3198 -1267.2790 -2712.3902 921491.4634 -1267.2790 -2712.3902
ENERGY: 285 20203.3287 20789.9630 5707.3564 186.7145 -334827.1969 22167.0166 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8437 -2700.0820 921491.4634 -1010.8437 -2700.0820
ENERGY: 286 19396.6309 20966.5624 5721.5031 185.8229 -334658.1152 22176.6864 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9094 -222054.0582 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1191 20856.7824 5731.9346 184.4714 -334918.1483 22200.2911 0.0000 0.0000 44282.9437 -222485.6059 161.0892 -266768.5497 -222055.7253 161.0892 -2148.9613 -2753.3344 921491.4634 -2148.9613 -2753.3344
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.735
LDB: Largest compute 200 load 0.519257 is 1.1% of average load 45.746660
LDB: Average compute 0.064096 is 0.1% of average load 45.746660
LDB: TIME 148.737 LOAD: AVG 45.7467 MAX 47.1167 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.58 MB
LDB: TIME 148.738 LOAD: AVG 45.7467 MAX 47.1167 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.58 MB
LDB: TIME 148.753 LOAD: AVG 45.7467 MAX 46.2708 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.58 MB
LDB: ============== END OF LOAD BALANCING =============== 148.754
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.756
Info: Initial time: 4 CPUs 0.470857 s/step 5.44974 days/ns 3224.58 MB memory
TIMING: 300 CPU: 142.563, 0.470413/step Wall: 142.563, 0.470413/step, 0.026134 hours remaining, 3224.578125 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: 151.793, 0.461512/step Wall: 151.793, 0.461512/step, 0.0230756 hours remaining, 3224.578125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.014, 0.461049/step Wall: 161.014, 0.461049/step, 0.0204911 hours remaining, 3224.578125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 360 CPU: 170.231, 0.460822/step Wall: 170.231, 0.460822/step, 0.0179208 hours remaining, 3224.578125 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 19323.8975 19612.6013 5699.8913 181.0103 -336175.2001 22790.5193 0.0000 0.0000 46034.3490 -222532.9314 167.4603 -268567.2804 -222068.5919 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
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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: 377 20646.4608 20251.1592 5706.5522 182.3248 -335763.5803 22794.3775 0.0000 0.0000 43848.2756 -222334.4301 159.5080 -266182.7057 -222041.4011 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2281 22821.5839 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4158 -222044.3966 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.439, 0.460431/step Wall: 179.439, 0.460431/step, 0.0153477 hours remaining, 3224.578125 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: 385 19327.8181 19356.8911 5707.7752 177.4354 -335210.6404 22871.6144 0.0000 0.0000 45299.7170 -222469.3892 164.7879 -267769.1062 -222051.0995 164.7879 215.3514 -2064.3637 921491.4634 215.3514 -2064.3637
ENERGY: 386 19981.2273 19220.9463 5707.6638 175.9385 -334865.1820 22880.7958 0.0000 0.0000 44519.8585 -222378.7518 161.9510 -266898.6103 -222051.0440 161.9510 122.6670 -2011.2428 921491.4634 122.6670 -2011.2428
ENERGY: 387 20367.2859 19202.4843 5710.9355 174.6759 -335109.8727 22905.2744 0.0000 0.0000 44377.1814 -222372.0352 161.4320 -266749.2166 -222053.0052 161.4320 -738.9585 -2019.1689 921491.4634 -738.9585 -2019.1689
ENERGY: 388 20282.3987 19280.0167 5717.2935 173.7038 -335824.1517 22938.2901 0.0000 0.0000 44972.7759 -222459.6731 163.5986 -267432.4490 -222067.4817 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: 397 19906.7783 20200.7711 5721.4919 176.2273 -336102.8176 22990.0375 0.0000 0.0000 44712.8673 -222394.6441 162.6531 -267107.5114 -222042.6599 162.6531 -376.0861 -2327.2102 921491.4634 -376.0861 -2327.2102
ENERGY: 398 19692.8116 20133.3593 5716.9814 176.0456 -336812.3380 23014.0586 0.0000 0.0000 45592.7320 -222486.3496 165.8538 -268079.0816 -222045.7222 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.846
LDB: Largest compute 230 load 0.527623 is 1.2% of average load 45.665665
LDB: Average compute 0.063952 is 0.1% of average load 45.665665
LDB: TIME 194.848 LOAD: AVG 45.6657 MAX 46.09 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.58 MB
LDB: TIME 194.848 LOAD: AVG 45.6657 MAX 46.09 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.58 MB
LDB: TIME 194.848 LOAD: AVG 45.6657 MAX 46.09 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.58 MB
LDB: ============== END OF LOAD BALANCING =============== 194.849
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.85
Info: Benchmark time: 4 CPUs 0.460836 s/step 5.33375 days/ns 3224.58 MB memory
TIMING: 400 CPU: 188.651, 0.46057/step Wall: 188.651, 0.46057/step, 0.0127936 hours remaining, 3224.578125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9108 5715.8943 173.8391 -338107.6291 23109.6379 0.0000 0.0000 44436.8100 -222391.4892 161.6489 -266828.2991 -222049.2227 161.6489 -4939.3796 -2681.7025 921491.4634 -4939.3796 -2681.7025
ENERGY: 403 20784.9695 19778.4827 5715.7218 174.2695 -337239.9788 23077.8403 0.0000 0.0000 45225.5965 -222483.0986 164.5183 -267708.6950 -222046.6855 164.5183 -3613.5978 -2605.7428 921491.4634 -3613.5978 -2605.7428
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ENERGY: 408 19735.8471 19387.6643 5692.2152 187.5226 -335902.8222 23017.8175 0.0000 0.0000 45394.4122 -222487.3433 165.1324 -267881.7554 -222063.5312 165.1324 -920.8281 -2294.1556 921491.4634 -920.8281 -2294.1556
ENERGY: 409 20350.1190 19376.4606 5688.4776 191.1593 -336896.6851 23057.9924 0.0000 0.0000 45733.6059 -222498.8704 166.3663 -268232.4763 -222051.6705 166.3663 -2367.4921 -2346.9325 921491.4634 -2367.4921 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1419 20138.5248 5699.9334 199.7191 -337872.5326 23125.1118 0.0000 0.0000 45113.2145 -222465.8871 164.1095 -267579.1015 -222055.3454 164.1095 -3850.6270 -2398.9549 921491.4634 -3850.6270 -2398.9549
ENERGY: 414 19987.3858 20381.5506 5705.1136 199.5118 -337122.7805 23094.4560 0.0000 0.0000 45271.6528 -222483.1098 164.6858 -267754.7627 -222052.1625 164.6858 -2501.3241 -2333.9464 921491.4634 -2501.3241 -2333.9464
ENERGY: 415 19745.2666 20572.1260 5708.7453 198.1487 -336456.1980 23071.1994 0.0000 0.0000 44733.2274 -222427.4846 162.7272 -267160.7120 -222049.0347 162.7272 -1174.6451 -2266.5615 921491.4634 -1174.6451 -2266.5615
ENERGY: 416 19942.3168 20661.9898 5710.0858 195.6953 -336157.5869 23063.1717 0.0000 0.0000 44200.2851 -222384.0423 160.7885 -266584.3275 -222052.9646 160.7885 -282.7611 -2224.6897 921491.4634 -282.7611 -2224.6897
ENERGY: 417 20031.3749 20631.3212 5709.0494 192.4696 -336373.1084 23072.1101 0.0000 0.0000 44338.4620 -222398.3211 161.2911 -266736.7831 -222044.6995 161.2911 -112.4551 -2227.1699 921491.4634 -112.4551 -2227.1699
ENERGY: 418 20154.6648 20457.0912 5705.5848 188.6536 -336970.7877 23098.6729 0.0000 0.0000 44915.1422 -222450.9780 163.3889 -267366.1203 -222046.7095 163.3889 -671.8545 -2269.9921 921491.4634 -671.8545 -2269.9921
ENERGY: 419 20790.7632 20185.5526 5700.4811 184.6054 -337717.8767 23139.8026 0.0000 0.0000 45250.3101 -222466.3615 164.6082 -267716.6716 -222049.5952 164.6082 -1783.9422 -2336.6464 921491.4634 -1783.9422 -2336.6464
TIMING: 420 CPU: 197.841, 0.459495/step Wall: 197.841, 0.459495/step, 0.010211 hours remaining, 3224.578125 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 21418.8988 19324.4274 5689.6737 172.2145 -337416.8965 23180.6043 0.0000 0.0000 45183.9713 -222447.1065 164.3669 -267631.0778 -222051.5234 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
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ENERGY: 427 19598.5315 19595.2900 5707.1505 168.7509 -335498.4324 23074.5010 0.0000 0.0000 44915.2774 -222438.9311 163.3894 -267354.2085 -222048.7339 163.3894 -741.9006 -2207.6353 921491.4634 -741.9006 -2207.6353
ENERGY: 428 20140.4228 19760.4171 5710.4629 168.5259 -336199.9858 23087.7680 0.0000 0.0000 44884.2593 -222448.1297 163.2766 -267332.3890 -222058.0550 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3737 5712.1701 168.1897 -338096.9211 23149.4497 0.0000 0.0000 44626.3100 -222402.4407 162.3383 -267028.7507 -222047.3916 162.3383 -2472.2456 -2268.0463 921491.4634 -2472.2456 -2268.0463
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ENERGY: 432 21768.3706 20188.6722 5710.3547 168.1086 -338651.2109 23176.0850 0.0000 0.0000 45177.9911 -222461.6286 164.3451 -267639.6197 -222065.9059 164.3451 -3350.2742 -2296.1496 921491.4634 -3350.2742 -2296.1496
ENERGY: 433 21200.9075 20275.9662 5710.3764 168.4633 -338164.0645 23162.2915 0.0000 0.0000 45192.9285 -222453.1312 164.3995 -267646.0596 -222052.5983 164.3995 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3414 20338.1499 5711.6062 169.3247 -337394.2712 23140.7740 0.0000 0.0000 44883.0998 -222420.9752 163.2724 -267304.0751 -222051.1463 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2201 20362.4015 5714.0004 170.8455 -336680.6563 23123.4102 0.0000 0.0000 44675.9841 -222398.7945 162.5190 -267074.7786 -222049.5889 162.5190 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
ENERGY: 436 19670.9242 20349.9983 5717.2346 173.0864 -336303.8824 23119.9084 0.0000 0.0000 44847.0986 -222425.6320 163.1414 -267272.7305 -222059.6962 163.1414 -1520.6596 -2145.1616 921491.4634 -1520.6596 -2145.1616
ENERGY: 437 19434.5516 20329.5095 5720.9894 175.9827 -336411.9798 23136.3874 0.0000 0.0000 45159.2689 -222455.2903 164.2770 -267614.5592 -222050.7505 164.2770 -1319.1167 -2134.4848 921491.4634 -1319.1167 -2134.4848
ENERGY: 438 19935.1533 20278.6098 5724.6884 179.3848 -336899.4592 23173.5526 0.0000 0.0000 45148.1326 -222459.9376 164.2365 -267608.0702 -222051.5670 164.2365 -1493.0940 -2145.0880 921491.4634 -1493.0940 -2145.0880
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TIMING: 440 CPU: 207.02, 0.458987/step Wall: 207.02, 0.458987/step, 0.00764979 hours remaining, 3224.578125 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 20036.2375 5729.7527 186.7202 -338123.1824 23276.2493 0.0000 0.0000 44417.5463 -222405.1079 161.5788 -266822.6541 -222059.4772 161.5788 -2408.4611 -2197.9669 921491.4634 -2408.4611 -2197.9669
ENERGY: 441 22355.5488 19860.0413 5730.3488 190.1146 -338361.1733 23313.2053 0.0000 0.0000 44502.6967 -222409.2178 161.8886 -266911.9145 -222050.0859 161.8886 -2716.1027 -2221.5311 921491.4634 -2716.1027 -2221.5311
ENERGY: 442 21853.6121 19664.5353 5729.4855 192.9411 -338090.1550 23327.1576 0.0000 0.0000 44880.6321 -222441.7913 163.2634 -267322.4233 -222049.7755 163.2634 -2710.5575 -2229.0694 921491.4634 -2710.5575 -2229.0694
ENERGY: 443 21064.3319 19487.0727 5727.6165 194.9329 -337369.3165 23320.0166 0.0000 0.0000 45118.1105 -222457.2353 164.1273 -267575.3459 -222048.5995 164.1273 -2448.1647 -2220.3528 921491.4634 -2448.1647 -2220.3528
ENERGY: 444 20449.3365 19357.2693 5725.4096 195.8735 -336464.1934 23301.5284 0.0000 0.0000 44987.7174 -222447.0587 163.6530 -267434.7761 -222057.9797 163.6530 -2090.2098 -2206.4397 921491.4634 -2090.2098 -2206.4397
ENERGY: 445 20125.5608 19307.2520 5723.6513 195.6942 -335759.3922 23283.8147 0.0000 0.0000 44708.7151 -222414.7041 162.6380 -267123.4192 -222046.5428 162.6380 -1846.9624 -2201.6923 921491.4634 -1846.9624 -2201.6923
ENERGY: 446 19947.6804 19324.9007 5722.5430 194.3235 -335494.5713 23276.0459 0.0000 0.0000 44620.2940 -222408.7838 162.3164 -267029.0778 -222046.1620 162.3164 -1800.7515 -2216.7291 921491.4634 -1800.7515 -2216.7291
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8642 -335769.4401 23282.7466 0.0000 0.0000 44816.5080 -222425.8049 163.0301 -267242.3129 -222046.8342 163.0301 -1993.3108 -2253.0600 921491.4634 -1993.3108 -2253.0600
ENERGY: 448 20187.5922 19583.6797 5722.5765 188.5554 -336503.1799 23303.8912 0.0000 0.0000 45065.6665 -222451.2185 163.9365 -267516.8850 -222059.3480 163.9365 -2372.1875 -2303.7895 921491.4634 -2372.1875 -2303.7895
ENERGY: 449 20877.4060 19832.6982 5723.5713 184.8596 -337500.9068 23334.5930 0.0000 0.0000 45101.1668 -222446.6119 164.0656 -267547.7787 -222047.7099 164.0656 -2827.1077 -2356.1404 921491.4634 -2827.1077 -2356.1404
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 20108.1295 5724.4776 181.0898 -338419.3244 23364.6250 0.0000 0.0000 44854.3087 -222432.2086 163.1676 -267286.5173 -222048.7860 163.1676 -3116.6753 -2394.3893 921491.4634 -3116.6753 -2394.3893
ENERGY: 451 22355.5902 20357.7250 5724.7144 177.6517 -338952.0902 23381.8013 0.0000 0.0000 44542.6976 -222411.9100 162.0341 -266954.6076 -222048.8246 162.0341 -3074.2530 -2405.7794 921491.4634 -3074.2530 -2405.7794
ENERGY: 452 22246.2015 20536.0130 5723.8954 174.8859 -338927.1536 23378.0949 0.0000 0.0000 44452.9184 -222415.1445 161.7075 -266868.0629 -222059.6375 161.7075 -2659.9604 -2384.7566 921491.4634 -2659.9604 -2384.7566
ENERGY: 453 21399.8727 20641.1308 5722.2879 173.1350 -338392.7933 23354.5913 0.0000 0.0000 44683.7021 -222418.0735 162.5470 -267101.7756 -222043.5376 162.5470 -2048.3338 -2342.4666 921491.4634 -2048.3338 -2342.4666
ENERGY: 454 20248.3381 20654.1373 5720.2218 172.3637 -337567.1415 23320.6906 0.0000 0.0000 45008.1454 -222443.2446 163.7273 -267451.3901 -222041.8396 163.7273 -1453.4578 -2293.1449 921491.4634 -1453.4578 -2293.1449
ENERGY: 455 19486.7905 20584.7121 5718.4844 172.5169 -336790.6454 23290.4027 0.0000 0.0000 45086.5779 -222451.1608 164.0126 -267537.7388 -222040.8575 164.0126 -1151.8823 -2255.8570 921491.4634 -1151.8823 -2255.8570
ENERGY: 456 19493.3720 20440.6802 5717.7556 173.4248 -336350.1074 23274.9634 0.0000 0.0000 44811.4718 -222438.4395 163.0118 -267249.9114 -222055.3486 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4929 20251.9437 5718.5580 174.9241 -336395.8165 23277.8277 0.0000 0.0000 44521.8699 -222403.2002 161.9583 -266925.0701 -222049.4132 161.9583 -1906.4163 -2263.5011 921491.4634 -1906.4163 -2263.5011
ENERGY: 458 20585.8435 20019.2726 5720.7061 176.6081 -336835.0961 23294.7174 0.0000 0.0000 44632.7885 -222405.1599 162.3618 -267037.9484 -222051.2822 162.3618 -2684.6986 -2301.0426 921491.4634 -2684.6986 -2301.0426
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TIMING: 460 CPU: 216.195, 0.458712/step Wall: 216.195, 0.458712/step, 0.0050968 hours remaining, 3224.578125 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6138 19597.9067 5728.0972 179.4910 -338014.3771 23341.8000 0.0000 0.0000 45423.8568 -222480.6116 165.2395 -267904.4685 -222064.6836 165.2395 -3669.8202 -2365.2413 921491.4634 -3669.8202 -2365.2413
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ENERGY: 462 22264.2257 19487.8112 5736.4822 180.9531 -337988.7174 23351.1082 0.0000 0.0000 44559.9295 -222408.2074 162.0968 -266968.1369 -222056.7214 162.0968 -2954.8202 -2323.4252 921491.4634 -2954.8202 -2323.4252
ENERGY: 463 21821.1794 19513.9019 5738.9361 181.1160 -337284.1032 23326.9472 0.0000 0.0000 44313.4574 -222388.5652 161.2002 -266702.0226 -222054.6242 161.2002 -2012.4426 -2264.0780 921491.4634 -2012.4426 -2264.0780
ENERGY: 464 20535.2462 19559.9275 5739.2518 181.0096 -336389.3842 23291.1935 0.0000 0.0000 44654.0271 -222428.7285 162.4391 -267082.7556 -222058.5729 162.4391 -1050.9229 -2205.5270 921491.4634 -1050.9229 -2205.5270
ENERGY: 465 19322.7828 19631.8856 5737.2899 180.7155 -335701.1534 23259.7384 0.0000 0.0000 45094.5693 -222474.1720 164.0416 -267568.7413 -222052.9388 164.0416 -512.3348 -2174.4010 921491.4634 -512.3348 -2174.4010
ENERGY: 466 19088.4511 19708.3582 5733.2107 180.2808 -335443.7723 23245.0595 0.0000 0.0000 45020.7913 -222467.6207 163.7733 -267488.4120 -222052.9786 163.7733 -630.3316 -2182.6713 921491.4634 -630.3316 -2182.6713
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0946 23249.4520 0.0000 0.0000 44523.6670 -222415.5483 161.9649 -266939.2153 -222054.3495 161.9649 -1393.6032 -2232.5927 921491.4634 -1393.6032 -2232.5927
ENERGY: 468 20761.8482 19845.4940 5721.5090 179.2779 -336451.5659 23265.8115 0.0000 0.0000 44291.6590 -222385.9663 161.1209 -266677.6253 -222056.3591 161.1209 -2508.6717 -2314.1343 921491.4634 -2508.6717 -2314.1343
ENERGY: 469 21236.3016 19910.2019 5715.6824 178.8504 -337458.3194 23284.3950 0.0000 0.0000 44720.3208 -222412.5673 162.6802 -267132.8881 -222046.0750 162.6802 -3596.7410 -2405.7976 921491.4634 -3596.7410 -2405.7976
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8931 5710.9491 178.5947 -338383.2499 23297.0661 0.0000 0.0000 45346.4581 -222466.1157 164.9580 -267812.5738 -222047.6089 164.9580 -4259.7000 -2477.6835 921491.4634 -4259.7000 -2477.6835
ENERGY: 471 21732.8679 20054.6831 5707.9626 178.5890 -338913.2443 23297.5073 0.0000 0.0000 45471.3373 -222470.2971 165.4122 -267941.6344 -222047.5360 165.4122 -4290.5689 -2504.3179 921491.4634 -4290.5689 -2504.3179
ENERGY: 472 22081.2363 20161.5547 5707.0091 178.9047 -338870.6756 23279.4479 0.0000 0.0000 45028.5301 -222433.9928 163.8014 -267462.5230 -222059.5057 163.8014 -3659.7365 -2479.9187 921491.4634 -3659.7365 -2479.9187
ENERGY: 473 21866.1364 20289.3421 5707.9843 179.6165 -338307.7180 23240.7351 0.0000 0.0000 44634.5178 -222389.3858 162.3681 -267023.9036 -222043.8538 162.3681 -2556.3620 -2408.1661 921491.4634 -2556.3620 -2408.1661
ENERGY: 474 20842.9704 20372.0982 5710.2161 180.7466 -337438.4539 23189.2336 0.0000 0.0000 44733.2311 -222409.9581 162.7272 -267143.1891 -222041.2618 162.7272 -1295.5528 -2316.2731 921491.4634 -1295.5528 -2316.2731
ENERGY: 475 19674.2079 20371.7670 5712.9876 182.2512 -336604.2299 23142.3805 0.0000 0.0000 45070.2142 -222450.4215 163.9531 -267520.6357 -222039.4529 163.9531 -344.6451 -2232.2129 921491.4634 -344.6451 -2232.2129
ENERGY: 476 19235.7860 20282.0272 5715.7683 184.0125 -336100.0889 23115.8454 0.0000 0.0000 45106.0634 -222460.5860 164.0835 -267566.6494 -222053.6136 164.0835 -92.4051 -2183.0655 921491.4634 -92.4051 -2183.0655
ENERGY: 477 19704.7249 20145.9812 5718.4976 185.9230 -336101.8775 23114.2927 0.0000 0.0000 44812.3207 -222420.1373 163.0149 -267232.4580 -222044.8409 163.0149 -667.4948 -2171.8231 921491.4634 -667.4948 -2171.8231
ENERGY: 478 20493.4776 19974.7638 5721.0254 187.7262 -336537.4022 23131.2449 0.0000 0.0000 44627.0330 -222402.1313 162.3409 -267029.1643 -222047.4105 162.3409 -1807.1606 -2198.7959 921491.4634 -1807.1606 -2198.7959
ENERGY: 479 21125.3057 19793.3958 5723.3295 189.2099 -337215.5826 23156.6761 0.0000 0.0000 44802.1576 -222425.5081 162.9779 -267227.6656 -222050.5458 162.9779 -3089.8518 -2246.7920 921491.4634 -3089.8518 -2246.7920
TIMING: 480 CPU: 225.365, 0.458534/step Wall: 225.365, 0.458534/step, 0.00254741 hours remaining, 3224.578125 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 19623.1967 5725.3111 190.1900 -337854.6775 23181.5108 0.0000 0.0000 45051.6813 -222458.7549 163.8856 -267510.4362 -222064.6209 163.8856 -4077.7328 -2291.4894 921491.4634 -4077.7328 -2291.4894
ENERGY: 481 22092.4854 19510.0436 5727.0953 190.6351 -338199.2472 23196.7949 0.0000 0.0000 45041.3366 -222440.8562 163.8480 -267482.1929 -222052.5265 163.8480 -4466.2396 -2305.6734 921491.4634 -4466.2396 -2305.6734
ENERGY: 482 22186.3469 19466.6798 5728.4964 190.3598 -338044.5410 23192.7465 0.0000 0.0000 44865.8518 -222414.0600 163.2096 -267279.9118 -222051.4112 163.2096 -4059.3100 -2278.0617 921491.4634 -4059.3100 -2278.0617
ENERGY: 483 21553.1414 19511.5748 5729.5661 189.3227 -337426.2177 23165.8731 0.0000 0.0000 44861.8968 -222414.8429 163.1953 -267276.7397 -222048.7671 163.1953 -2964.1725 -2216.4118 921491.4634 -2964.1725 -2216.4118
ENERGY: 484 20460.8925 19631.1942 5730.2465 187.5455 -336590.8873 23126.1342 0.0000 0.0000 45003.6033 -222451.2712 163.7107 -267454.8745 -222059.8737 163.7107 -1565.2425 -2143.1850 921491.4634 -1565.2425 -2143.1850
ENERGY: 485 19688.7718 19800.2993 5730.5256 185.2458 -335902.5855 23092.8461 0.0000 0.0000 44955.5728 -222449.3241 163.5360 -267404.8969 -222045.9601 163.5360 -422.1569 -2086.8736 921491.4634 -422.1569 -2086.8736
ENERGY: 486 19602.5425 19954.8177 5729.7198 182.4662 -335612.3558 23080.3799 0.0000 0.0000 44645.9121 -222416.5176 162.4096 -267062.4297 -222044.6755 162.4096 87.3181 -2070.0983 921491.4634 87.3181 -2070.0983
ENERGY: 487 19881.0925 20072.0213 5727.4348 179.4360 -335846.4474 23091.0536 0.0000 0.0000 44503.3499 -222392.0594 161.8910 -266895.4093 -222045.2402 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2099 20156.1361 5723.5441 176.4338 -336552.5452 23118.8609 0.0000 0.0000 44827.0563 -222425.3041 163.0685 -267252.3604 -222057.1938 163.0685 -1145.7537 -2194.6683 921491.4634 -1145.7537 -2194.6683
ENERGY: 489 20526.8873 20236.4608 5718.5749 173.8639 -337540.4658 23156.7303 0.0000 0.0000 45266.1013 -222461.8473 164.6656 -267727.9486 -222045.6086 164.6656 -2511.2408 -2316.7070 921491.4634 -2511.2408 -2316.7070
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9021 5712.8912 171.8438 -338458.1366 23196.4870 0.0000 0.0000 45213.5639 -222459.6994 164.4745 -267673.2632 -222048.2208 164.4745 -3823.4042 -2437.4158 921491.4634 -3823.4042 -2437.4158
ENERGY: 491 22430.4644 20312.1360 5707.3795 170.5404 -338984.5800 23226.0930 0.0000 0.0000 44733.0098 -222404.9569 162.7264 -267137.9667 -222049.4638 162.7264 -4629.6939 -2524.6218 921491.4634 -4629.6939 -2524.6218
ENERGY: 492 22612.9552 20289.6810 5702.9945 170.0208 -338937.5822 23232.7199 0.0000 0.0000 44542.1958 -222387.0151 162.0323 -266929.2109 -222060.3860 162.0323 -4606.8529 -2557.4733 921491.4634 -4606.8529 -2557.4733
ENERGY: 493 21558.2191 20260.7375 5700.7779 170.3200 -338358.0637 23214.0530 0.0000 0.0000 45033.8236 -222420.1326 163.8207 -267453.9562 -222046.5901 163.8207 -3796.3823 -2540.0999 921491.4634 -3796.3823 -2540.0999
ENERGY: 494 20068.3366 20225.0262 5700.9806 171.2193 -337454.3836 23183.0789 0.0000 0.0000 45622.2480 -222483.4939 165.9612 -268105.7420 -222044.0868 165.9612 -2500.8996 -2482.1071 921491.4634 -2500.8996 -2482.1071
ENERGY: 495 19383.2460 20186.8303 5703.5926 172.5416 -336566.9884 23159.4619 0.0000 0.0000 45484.1234 -222477.1925 165.4587 -267961.3159 -222041.5563 165.4587 -1249.6839 -2407.3058 921491.4634 -1249.6839 -2407.3058
ENERGY: 496 19722.4831 20130.6475 5708.0350 174.0933 -335998.7151 23154.2630 0.0000 0.0000 44699.5270 -222409.6662 162.6046 -267109.1932 -222049.0672 162.6046 -478.9000 -2343.4753 921491.4634 -478.9000 -2343.4753
ENERGY: 497 20212.6666 20059.9178 5713.4613 175.7242 -335952.5036 23166.3541 0.0000 0.0000 44261.0285 -222363.3512 161.0095 -266624.3797 -222042.7502 161.0095 -421.0233 -2316.7930 921491.4634 -421.0233 -2316.7930
ENERGY: 498 20182.0163 19957.1217 5718.5597 177.2604 -336366.4925 23189.3580 0.0000 0.0000 44728.2530 -222413.9235 162.7091 -267142.1764 -222044.5221 162.7091 -993.4680 -2331.6475 921491.4634 -993.4680 -2331.6475
ENERGY: 499 20158.0676 19847.7310 5722.4089 178.6361 -337058.4815 23219.2399 0.0000 0.0000 45439.2638 -222493.1341 165.2956 -267932.3979 -222047.2064 165.2956 -2020.8688 -2376.3392 921491.4634 -2020.8688 -2376.3392
Info: Benchmark time: 4 CPUs 0.458115 s/step 5.30226 days/ns 3224.58 MB memory
TIMING: 500 CPU: 234.462, 0.454854/step Wall: 234.462, 0.454854/step, 0 hours remaining, 3224.578125 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 20974.8937 19756.6586 5724.4523 179.8271 -337741.4180 23251.1004 0.0000 0.0000 45359.0768 -222495.4091 165.0039 -267854.4859 -222061.0909 165.0039 -3197.5167 -2425.4142 921491.4634 -3197.5167 -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, 3230.383 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3230.383 MB of memory in use
====================================================
WallClock: 241.548447 CPUTime: 241.548447 Memory: 3230.382812 MB
[Partition 0][Node 0] End of program
Application 110232189 resources: utime ~948s, stime ~19s, Rss ~127868, inblocks ~67010, outblocks ~72238
Displaying status file:
verified
WALL=241.548447
CPU=241.548447
MEM=3230.382812
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins9674510517008931447.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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