Skipping 713 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.2937
LDB: Largest compute 200 load 0.430900 is 1.2% of average load 36.760709
LDB: Average compute 0.051499 is 0.1% of average load 36.760709
LDB: Partitioning computes with target load 3.676071
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.054912
LDB: ============== END OF LOAD BALANCING =============== 54.2957
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2966
Info: Initial time: 4 CPUs 0.473814 s/step 5.48396 days/ns 3221.55 MB memory
TIMING: 100 CPU: 48.3534, 0.472809/step Wall: 48.3534, 0.472809/step, 0.0525344 hours remaining, 3221.550781 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 ============== 63.7346
LDB: ============== END OF LOAD BALANCING =============== 63.7347
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7351
TIMING: 120 CPU: 57.7909, 0.471875/step Wall: 57.7909, 0.471875/step, 0.049809 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
ENERGY: 130 21553.6088 18898.7760 5736.4508 185.0194 -334776.0135 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0555 -2842.3154 921491.4634 -5536.0555 -2842.3154
ENERGY: 131 21530.9956 19804.6626 5745.0872 187.0957 -335083.2642 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1804 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
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ENERGY: 133 21569.7010 21939.4305 5759.4053 191.1377 -334187.7136 21049.8505 0.0000 0.0000 41346.5716 -222331.6171 150.4075 -263678.1887 -222209.0241 150.4075 -2436.6192 -2806.2333 921491.4634 -2436.6192 -2806.2333
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ENERGY: 136 18381.4539 21453.0792 5750.0867 193.4037 -332655.7487 21006.3294 0.0000 0.0000 43348.3541 -222523.0418 157.6894 -265871.3958 -222211.0693 157.6894 198.1850 -2776.3543 921491.4634 198.1850 -2776.3543
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ENERGY: 138 21874.8525 19195.4803 5730.8549 192.8766 -333203.4344 21083.5324 0.0000 0.0000 42784.9639 -222340.8739 155.6399 -265125.8378 -222213.1815 155.6399 -2704.7056 -2927.3525 921491.4634 -2704.7056 -2927.3525
ENERGY: 139 22116.0296 18330.1126 5724.2506 192.4679 -333575.3364 21115.6332 0.0000 0.0000 43705.6789 -222391.1636 158.9892 -266096.8425 -222217.3488 158.9892 -4443.4108 -3015.1529 921491.4634 -4443.4108 -3015.1529
TIMING: 140 CPU: 67.2217, 0.47154/step Wall: 67.2217, 0.47154/step, 0.047154 hours remaining, 3221.972656 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 17997.1579 5722.1741 192.2140 -333726.9443 21127.4061 0.0000 0.0000 45144.2514 -222551.1432 164.2224 -267695.3945 -222224.0360 164.2224 -5617.7627 -3080.3638 921491.4634 -5617.7627 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.641, 0.47097/step Wall: 76.641, 0.47097/step, 0.0444805 hours remaining, 3222.179688 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: 160 21093.2844 18859.3046 5717.0749 174.4916 -333735.9156 20833.5472 0.0000 0.0000 44515.8597 -222542.3532 161.9365 -267058.2130 -222175.6786 161.9365 -3202.8706 -2752.7604 921491.4634 -3202.8706 -2752.7604
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ENERGY: 162 22512.8126 18508.1493 5697.2826 183.0024 -333202.6498 20887.8857 0.0000 0.0000 43070.6068 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9852 18346.8657 5696.1509 188.4544 -332368.8225 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 -333382.4925 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1567 -222149.7708 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 18891.7629 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5399 -222127.3369 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1735 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2626 -222252.6195 155.3827 -264966.8821 -222125.5136 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2977 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.0485, 0.470373/step Wall: 86.0485, 0.470373/step, 0.0418109 hours remaining, 3222.179688 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 18376.8756 19424.9915 5710.5469 174.1844 -332181.9079 21042.4479 0.0000 0.0000 44880.5528 -222572.3089 163.2631 -267452.8617 -222144.6140 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0934 21043.7459 0.0000 0.0000 44391.5888 -222435.3689 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4731 -2731.4263 921491.4634 -2596.4731 -2731.4263
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1124 21076.9264 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0856 -222130.9078 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: 196 19755.8662 19594.9320 5717.4229 183.5644 -332319.6950 21082.8579 0.0000 0.0000 43603.6156 -222381.4361 158.6180 -265985.0517 -222096.3127 158.6180 -1480.5938 -2574.8092 921491.4634 -1480.5938 -2574.8092
ENERGY: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2731 21129.4588 0.0000 0.0000 42574.3656 -222242.4587 154.8738 -264816.8243 -222086.7179 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2865 -222391.0320 159.7372 -266302.3185 -222090.4391 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.402
LDB: Largest compute 200 load 0.425421 is 1.2% of average load 36.582599
LDB: Average compute 0.051242 is 0.1% of average load 36.582599
LDB: TIME 101.404 LOAD: AVG 36.5826 MAX 37.6668 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.406 LOAD: AVG 36.5826 MAX 37.4702 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.408
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.411
Info: Initial time: 4 CPUs 0.471012 s/step 5.45152 days/ns 3223.57 MB memory
TIMING: 200 CPU: 95.4642, 0.470787/step Wall: 95.4642, 0.470787/step, 0.0392322 hours remaining, 3223.570312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6839 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1601 -222569.9769 164.8586 -267889.1370 -222114.5242 164.8586 -5241.8527 -2703.6813 921491.4634 -5241.8527 -2703.6813
ENERGY: 201 23380.1032 18674.3333 5716.2802 191.4189 -334751.7131 21239.1341 0.0000 0.0000 43222.4696 -222327.9739 157.2315 -265550.4435 -222100.1075 157.2315 -4546.2006 -2661.1901 921491.4634 -4546.2006 -2661.1901
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3006 21243.2752 0.0000 0.0000 42432.5589 -222241.0644 154.3580 -264673.6233 -222096.8288 154.3580 -3005.0520 -2588.0014 921491.4634 -3005.0520 -2588.0014
ENERGY: 203 20743.8945 19130.0389 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6987 -222431.1631 160.2771 -266490.8618 -222093.6424 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9555 5734.1463 191.2124 -332722.2198 21188.8403 0.0000 0.0000 45629.4720 -222628.9808 165.9875 -268258.4528 -222116.7000 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2549 21197.9186 0.0000 0.0000 44690.7149 -222526.2115 162.5725 -267216.9265 -222099.8059 162.5725 731.8537 -2447.6353 921491.4634 731.8537 -2447.6353
ENERGY: 206 20668.8901 20170.9985 5732.9811 187.6404 -332716.3432 21241.8392 0.0000 0.0000 42439.0585 -222274.9355 154.3816 -264713.9940 -222100.3396 154.3816 -230.6566 -2488.2937 921491.4634 -230.6566 -2488.2937
ENERGY: 207 21693.8031 20338.2890 5726.5434 185.3060 -333603.9789 21289.9002 0.0000 0.0000 42143.6915 -222226.4457 153.3072 -264370.1372 -222103.0930 153.3072 -1896.3476 -2585.9682 921491.4634 -1896.3476 -2585.9682
ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2378 21322.2411 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6314 161.6191 -3669.0641 -2719.7951 921491.4634 -3669.0641 -2719.7951
ENERGY: 209 19428.8172 20325.0058 5710.3389 180.5135 -335910.2415 21349.5045 0.0000 0.0000 46273.6801 -222642.3816 168.3309 -268916.0617 -222106.7901 168.3309 -5197.7274 -2836.6305 921491.4634 -5197.7274 -2836.6305
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1737 20194.2568 5705.3139 178.4614 -336615.7771 21385.1097 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4616 -222108.2017 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1930 19985.8632 5704.9373 176.9105 -336667.8931 21415.1478 0.0000 0.0000 43031.7285 -222254.1129 156.5376 -265285.8414 -222106.8542 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2711 19730.8222 5710.0295 176.0352 -336013.6229 21412.5984 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2318 156.4046 -4424.1003 -2820.3210 921491.4634 -4424.1003 -2820.3210
ENERGY: 213 20150.2160 19524.5249 5720.1722 175.9508 -334874.6445 21380.5553 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5528 19421.7449 5733.3059 176.6827 -333645.3937 21358.4486 0.0000 0.0000 46958.4702 -222681.1885 170.8220 -269639.6587 -222093.7407 170.8220 -143.6683 -2626.0577 921491.4634 -143.6683 -2626.0577
ENERGY: 215 18210.5055 19441.9744 5746.5772 178.1492 -332787.3322 21379.5597 0.0000 0.0000 45302.6745 -222527.8917 164.7987 -267830.5662 -222091.0447 164.7987 784.0017 -2554.0367 921491.4634 784.0017 -2554.0367
ENERGY: 216 20973.4716 19522.5063 5756.9571 180.1770 -332560.1061 21436.4837 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5104 -222073.6156 154.3930 420.9904 -2541.5428 921491.4634 420.9904 -2541.5428
ENERGY: 217 21778.3866 19581.4821 5762.2416 182.5517 -333010.6758 21497.2707 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4464 152.7251 -882.1697 -2598.7243 921491.4634 -882.1697 -2598.7243
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1149 21546.6562 0.0000 0.0000 44178.6836 -222478.5360 160.7099 -266657.2196 -222068.8155 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
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TIMING: 220 CPU: 104.887, 0.471138/step Wall: 104.887, 0.471138/step, 0.0366441 hours remaining, 3223.570312 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 19419.4413 19404.0885 5740.6977 175.0128 -333964.3153 21778.9044 0.0000 0.0000 44901.2437 -222544.9270 163.3384 -267446.1707 -222065.9778 163.3384 -987.6013 -2425.5310 921491.4634 -987.6013 -2425.5310
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TIMING: 240 CPU: 114.294, 0.470353/step Wall: 114.294, 0.470353/step, 0.0339699 hours remaining, 3223.570312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 242 22110.7717 20111.8208 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8720 -222396.7196 158.3388 -265923.5916 -222063.5737 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3621 19969.6444 5749.3614 168.8705 -335233.7069 21770.4749 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9936 -222061.6675 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6009 21720.5677 0.0000 0.0000 45629.1662 -222554.1194 165.9864 -268183.2856 -222078.7770 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5945 21701.2471 0.0000 0.0000 44168.5247 -222360.5917 160.6730 -266529.1164 -222068.6365 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1204 21705.0851 0.0000 0.0000 43600.4182 -222284.3178 158.6063 -265884.7359 -222067.4295 158.6063 -1173.7928 -2523.3911 921491.4634 -1173.7928 -2523.3911
ENERGY: 247 19868.5286 19979.6439 5712.7400 177.5412 -334802.1841 21719.8455 0.0000 0.0000 44912.1912 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -982.9998 -2552.5930 921491.4634 -982.9998 -2552.5930
ENERGY: 248 19035.4925 20164.4296 5713.8450 181.3144 -335623.1352 21746.4311 0.0000 0.0000 46185.9362 -222595.6865 168.0117 -268781.6226 -222090.3126 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 20013.1600 5733.2541 193.8023 -336093.2679 21826.9296 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 19499.8638 19667.1123 5729.5496 195.2411 -334977.1809 21784.0537 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
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ENERGY: 255 20324.2311 19109.4103 5707.6062 196.0620 -333099.9234 21746.1516 0.0000 0.0000 43667.4213 -222349.0410 158.8501 -266016.4623 -222078.3975 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2407 -2664.5199 921491.4634 -2042.2407 -2664.5199
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0041 21780.2420 0.0000 0.0000 44488.5469 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5361 -2692.1442 921491.4634 -2035.5361 -2692.1442
ENERGY: 258 19453.5867 18882.0666 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2579 -222556.7762 166.5942 -268353.0341 -222062.0608 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
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TIMING: 260 CPU: 123.697, 0.470138/step Wall: 123.697, 0.470138/step, 0.0313425 hours remaining, 3223.875000 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 262 21606.2725 19814.6776 5694.0656 188.7122 -336291.7859 21947.6075 0.0000 0.0000 44601.6345 -222438.8160 162.2485 -267040.4505 -222052.4323 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
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ENERGY: 264 19385.2259 20436.4304 5710.6950 187.5052 -334855.9509 21907.7773 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3171 -222069.1982 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8414 20681.9924 5713.6241 187.4392 -334395.6629 21906.0164 0.0000 0.0000 43607.6373 -222352.1120 158.6326 -265959.7493 -222054.3371 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7898 20788.8700 5712.1327 187.6137 -334399.4574 21914.4806 0.0000 0.0000 43399.3796 -222348.1912 157.8750 -265747.5707 -222054.3634 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4853 21930.8375 0.0000 0.0000 44220.2167 -222446.1645 160.8610 -266666.3812 -222055.6584 160.8610 -2435.4233 -2662.6782 921491.4634 -2435.4233 -2662.6782
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7451 21959.1258 0.0000 0.0000 44823.5375 -222504.2926 163.0557 -267327.8301 -222075.9876 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 22620.1934 19450.9168 5690.3173 187.1618 -336650.6778 22028.8071 0.0000 0.0000 44308.0074 -222365.2740 161.1804 -266673.2813 -222067.0436 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5585 18896.0663 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7074 -222503.3109 165.9083 -268111.0183 -222081.1570 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2137 18932.9082 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7159 -222499.9694 165.5264 -268002.6853 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8500 19594.7508 5701.2546 182.4904 -333292.1280 21971.0410 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9395 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3453 21997.2387 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7543 -2498.0544 921491.4634 -2311.7543 -2498.0544
ENERGY: 278 20199.4577 19713.7758 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
ENERGY: 279 21984.3650 19593.9429 5677.5176 184.5187 -335888.5801 22096.4200 0.0000 0.0000 43975.0880 -222376.7280 159.9693 -266351.8160 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.088, 0.469583/step Wall: 133.088, 0.469583/step, 0.0286968 hours remaining, 3223.875000 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 19396.6308 20966.5622 5721.5031 185.8229 -334658.1147 22176.6864 0.0000 0.0000 43785.6880 -222425.2213 159.2803 -266210.9093 -222054.0583 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1190 20856.7823 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9436 -222485.6059 161.0892 -266768.5495 -222055.7253 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -2753.3344
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3148 22237.9038 0.0000 0.0000 44116.9902 -222455.2375 160.4855 -266572.2278 -222066.9053 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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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 ============== 148.446
LDB: Largest compute 200 load 0.520715 is 1.1% of average load 45.619437
LDB: Average compute 0.063901 is 0.1% of average load 45.619437
LDB: TIME 148.448 LOAD: AVG 45.6194 MAX 47.0346 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.07 MB
LDB: TIME 148.448 LOAD: AVG 45.6194 MAX 47.0346 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.07 MB
LDB: TIME 148.464 LOAD: AVG 45.6194 MAX 46.1316 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: ============== END OF LOAD BALANCING =============== 148.465
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.466
Info: Initial time: 4 CPUs 0.470024 s/step 5.44009 days/ns 3224.07 MB memory
TIMING: 300 CPU: 142.487, 0.469949/step Wall: 142.487, 0.469949/step, 0.0261083 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: 320 CPU: 151.681, 0.45966/step Wall: 151.681, 0.45966/step, 0.022983 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: 340 CPU: 160.868, 0.459374/step Wall: 160.868, 0.459374/step, 0.0204166 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: 360 CPU: 170.048, 0.459017/step Wall: 170.048, 0.459017/step, 0.0178507 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: 364 19323.8975 19612.6014 5699.8913 181.0103 -336175.1990 22790.5191 0.0000 0.0000 46034.3484 -222532.9310 167.4603 -268567.2794 -222068.5915 167.4603 -1420.0424 -2476.3756 921491.4634 -1420.0424 -2476.3756
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ENERGY: 368 20561.5937 19748.2120 5739.6691 179.8275 -335728.0869 22808.6649 0.0000 0.0000 44272.8404 -222417.2794 161.0524 -266690.1198 -222068.2913 161.0524 -2928.4886 -2487.3071 921491.4634 -2928.4886 -2487.3071
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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 20646.4606 20251.1592 5706.5521 182.3248 -335763.5794 22794.3768 0.0000 0.0000 43848.2755 -222334.4303 159.5080 -266182.7058 -222041.4013 159.5080 -1819.5856 -2472.4987 921491.4634 -1819.5856 -2472.4987
ENERGY: 378 20473.8099 20495.6594 5711.4639 183.2952 -336584.2273 22821.5831 0.0000 0.0000 44474.7537 -222423.6621 161.7869 -266898.4158 -222044.3968 161.7869 -2972.9873 -2523.3500 921491.4634 -2972.9873 -2523.3500
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TIMING: 380 CPU: 179.223, 0.458708/step Wall: 179.223, 0.458708/step, 0.0152903 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: 384 19625.4115 19596.0355 5710.5349 179.0647 -336052.0485 22884.2527 0.0000 0.0000 45539.1834 -222517.5658 165.6590 -268056.7492 -222062.0926 165.6590 -569.2382 -2166.9360 921491.4634 -569.2382 -2166.9360
ENERGY: 385 19327.8180 19356.8913 5707.7751 177.4354 -335210.6398 22871.6136 0.0000 0.0000 45299.7173 -222469.3890 164.7879 -267769.1063 -222051.0994 164.7879 215.3513 -2064.3638 921491.4634 215.3513 -2064.3638
ENERGY: 386 19981.2271 19220.9465 5707.6637 175.9385 -334865.1813 22880.7950 0.0000 0.0000 44519.8588 -222378.7516 161.9510 -266898.6105 -222051.0438 161.9510 122.6669 -2011.2430 921491.4634 122.6669 -2011.2430
ENERGY: 387 20367.2859 19202.4845 5710.9354 174.6759 -335109.8720 22905.2736 0.0000 0.0000 44377.1818 -222372.0350 161.4320 -266749.2167 -222053.0050 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
ENERGY: 388 20282.3987 19280.0167 5717.2934 173.7038 -335824.1512 22938.2893 0.0000 0.0000 44972.7762 -222459.6731 163.5986 -267432.4493 -222067.4817 163.5986 -2063.8554 -2076.2823 921491.4634 -2063.8554 -2076.2823
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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 19692.8115 20133.3593 5716.9814 176.0456 -336812.3374 23014.0581 0.0000 0.0000 45592.7320 -222486.3495 165.8538 -268079.0815 -222045.7222 165.8538 -1710.2236 -2443.6966 921491.4634 -1710.2236 -2443.6966
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LDB: ============= START OF LOAD BALANCING ============== 194.376
LDB: Largest compute 230 load 0.523176 is 1.1% of average load 45.597413
LDB: Average compute 0.063861 is 0.1% of average load 45.597413
LDB: TIME 194.378 LOAD: AVG 45.5974 MAX 45.9098 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.07 MB
LDB: TIME 194.379 LOAD: AVG 45.5974 MAX 45.9098 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: TIME 194.379 LOAD: AVG 45.5974 MAX 45.9098 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.07 MB
LDB: ============== END OF LOAD BALANCING =============== 194.379
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.38
Info: Benchmark time: 4 CPUs 0.459055 s/step 5.31313 days/ns 3224.07 MB memory
TIMING: 400 CPU: 188.397, 0.458711/step Wall: 188.397, 0.458711/step, 0.012742 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: 402 22444.0481 19835.9109 5715.8942 173.8391 -338107.6287 23109.6377 0.0000 0.0000 44436.8095 -222391.4891 161.6489 -266828.2986 -222049.2227 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9697 19778.4828 5715.7218 174.2695 -337239.9784 23077.8402 0.0000 0.0000 45225.5959 -222483.0985 164.5183 -267708.6944 -222046.6855 164.5183 -3613.5981 -2605.7429 921491.4634 -3613.5981 -2605.7429
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ENERGY: 408 19735.8470 19387.6643 5692.2152 187.5226 -335902.8217 23017.8176 0.0000 0.0000 45394.4118 -222487.3432 165.1324 -267881.7550 -222063.5312 165.1324 -920.8279 -2294.1555 921491.4634 -920.8279 -2294.1555
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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: 415 19745.2664 20572.1260 5708.7452 198.1487 -336456.1972 23071.1994 0.0000 0.0000 44733.2271 -222427.4844 162.7272 -267160.7115 -222049.0346 162.7272 -1174.6450 -2266.5614 921491.4634 -1174.6450 -2266.5614
ENERGY: 416 19942.3167 20661.9896 5710.0857 195.6954 -336157.5859 23063.1718 0.0000 0.0000 44200.2848 -222384.0420 160.7885 -266584.3268 -222052.9643 160.7885 -282.7610 -2224.6896 921491.4634 -282.7610 -2224.6896
ENERGY: 417 20031.3748 20631.3209 5709.0494 192.4696 -336373.1073 23072.1101 0.0000 0.0000 44338.4617 -222398.3208 161.2911 -266736.7825 -222044.6992 161.2911 -112.4549 -2227.1698 921491.4634 -112.4549 -2227.1698
ENERGY: 418 20154.6647 20457.0909 5705.5847 188.6536 -336970.7866 23098.6728 0.0000 0.0000 44915.1421 -222450.9777 163.3889 -267366.1198 -222046.7092 163.3889 -671.8543 -2269.9920 921491.4634 -671.8543 -2269.9920
ENERGY: 419 20790.7631 20185.5524 5700.4810 184.6055 -337717.8757 23139.8025 0.0000 0.0000 45250.3100 -222466.3612 164.6082 -267716.6712 -222049.5949 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 197.545, 0.457413/step Wall: 197.545, 0.457413/step, 0.0101647 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: 423 21418.8988 19324.4274 5689.6736 172.2145 -337416.8958 23180.6040 0.0000 0.0000 45183.9712 -222447.1063 164.3669 -267631.0774 -222051.5232 164.3669 -3955.8309 -2434.9306 921491.4634 -3955.8309 -2434.9306
ENERGY: 424 20531.3310 19270.7816 5692.6542 170.6563 -336406.2767 23140.4645 0.0000 0.0000 45151.0458 -222449.3433 164.2471 -267600.3891 -222060.4129 164.2471 -3030.1610 -2370.2033 921491.4634 -3030.1610 -2370.2033
ENERGY: 425 19942.3359 19314.5608 5697.3263 169.6876 -335607.5208 23103.7919 0.0000 0.0000 44956.0483 -222423.7700 163.5377 -267379.8183 -222050.7965 163.5377 -1980.9652 -2297.0090 921491.4634 -1980.9652 -2297.0090
ENERGY: 426 19603.3345 19432.3068 5702.4947 169.0990 -335270.6877 23080.2890 0.0000 0.0000 44862.7387 -222420.4249 163.1983 -267283.1636 -222049.1092 163.1983 -1125.8049 -2237.7215 921491.4634 -1125.8049 -2237.7215
ENERGY: 427 19598.5316 19595.2897 5707.1504 168.7509 -335498.4319 23074.5005 0.0000 0.0000 44915.2777 -222438.9312 163.3894 -267354.2089 -222048.7340 163.3894 -741.9007 -2207.6355 921491.4634 -741.9007 -2207.6355
ENERGY: 428 20140.4228 19760.4169 5710.4628 168.5259 -336199.9849 23087.7675 0.0000 0.0000 44884.2596 -222448.1295 163.2766 -267332.3891 -222058.0548 163.2766 -935.5730 -2206.9584 921491.4634 -935.5730 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9873 20024.3737 5712.1700 168.1897 -338096.9202 23149.4490 0.0000 0.0000 44626.3100 -222402.4405 162.3383 -267028.7505 -222047.3913 162.3383 -2472.2458 -2268.0465 921491.4634 -2472.2458 -2268.0465
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ENERGY: 432 21768.3707 20188.6725 5710.3547 168.1086 -338651.2097 23176.0842 0.0000 0.0000 45177.9906 -222461.6284 164.3451 -267639.6191 -222065.9057 164.3451 -3350.2744 -2296.1497 921491.4634 -3350.2744 -2296.1497
ENERGY: 433 21200.9073 20275.9665 5710.3763 168.4633 -338164.0632 23162.2907 0.0000 0.0000 45192.9280 -222453.1310 164.3995 -267646.0590 -222052.5981 164.3995 -3187.3734 -2272.1276 921491.4634 -3187.3734 -2272.1276
ENERGY: 434 20730.3411 20338.1501 5711.6061 169.3247 -337394.2697 23140.7731 0.0000 0.0000 44883.0995 -222420.9751 163.2724 -267304.0746 -222051.1462 163.2724 -2694.3107 -2227.7884 921491.4634 -2694.3107 -2227.7884
ENERGY: 435 20235.2198 20362.4016 5714.0003 170.8455 -336680.6546 23123.4093 0.0000 0.0000 44675.9837 -222398.7944 162.5189 -267074.7781 -222049.5888 162.5189 -2061.3580 -2179.8950 921491.4634 -2061.3580 -2179.8950
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ENERGY: 437 19434.5515 20329.5092 5720.9894 175.9827 -336411.9778 23136.3864 0.0000 0.0000 45159.2684 -222455.2902 164.2770 -267614.5587 -222050.7505 164.2770 -1319.1167 -2134.4849 921491.4634 -1319.1167 -2134.4849
ENERGY: 438 19935.1531 20278.6095 5724.6884 179.3848 -336899.4570 23173.5515 0.0000 0.0000 45148.1322 -222459.9375 164.2365 -267608.0697 -222051.5670 164.2365 -1493.0940 -2145.0881 921491.4634 -1493.0940 -2145.0881
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TIMING: 440 CPU: 206.684, 0.456933/step Wall: 206.684, 0.456933/step, 0.00761555 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: 440 22071.5683 20036.2369 5729.7527 186.7201 -338123.1802 23276.2481 0.0000 0.0000 44417.5461 -222405.1079 161.5788 -266822.6539 -222059.4773 161.5788 -2408.4614 -2197.9672 921491.4634 -2408.4614 -2197.9672
ENERGY: 441 22355.5488 19860.0407 5730.3488 190.1145 -338361.1712 23313.2041 0.0000 0.0000 44502.6965 -222409.2179 161.8886 -266911.9144 -222050.0860 161.8886 -2716.1030 -2221.5314 921491.4634 -2716.1030 -2221.5314
ENERGY: 442 21853.6122 19664.5346 5729.4854 192.9411 -338090.1531 23327.1564 0.0000 0.0000 44880.6321 -222441.7913 163.2634 -267322.4234 -222049.7755 163.2634 -2710.5580 -2229.0697 921491.4634 -2710.5580 -2229.0697
ENERGY: 443 21064.3318 19487.0720 5727.6164 194.9329 -337369.3149 23320.0154 0.0000 0.0000 45118.1110 -222457.2354 164.1273 -267575.3463 -222048.5996 164.1273 -2448.1651 -2220.3532 921491.4634 -2448.1651 -2220.3532
ENERGY: 444 20449.3363 19357.2687 5725.4095 195.8734 -336464.1922 23301.5272 0.0000 0.0000 44987.7182 -222447.0589 163.6530 -267434.7770 -222057.9798 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5607 19307.2514 5723.6513 195.6942 -335759.3914 23283.8135 0.0000 0.0000 44708.7161 -222414.7042 162.6380 -267123.4203 -222046.5429 162.6380 -1846.9626 -2201.6926 921491.4634 -1846.9626 -2201.6926
ENERGY: 446 19947.6805 19324.9003 5722.5430 194.3235 -335494.5709 23276.0447 0.0000 0.0000 44620.2950 -222408.7839 162.3164 -267029.0790 -222046.1621 162.3164 -1800.7517 -2216.7294 921491.4634 -1800.7517 -2216.7294
ENERGY: 447 19914.2849 19416.0208 5722.2107 191.8641 -335769.4402 23282.7455 0.0000 0.0000 44816.5093 -222425.8050 163.0301 -267242.3143 -222046.8343 163.0301 -1993.3110 -2253.0603 921491.4634 -1993.3110 -2253.0603
ENERGY: 448 20187.5921 19583.6798 5722.5765 188.5554 -336503.1805 23303.8901 0.0000 0.0000 45065.6680 -222451.2186 163.9365 -267516.8866 -222059.3482 163.9365 -2372.1877 -2303.7899 921491.4634 -2372.1877 -2303.7899
ENERGY: 449 20877.4059 19832.6985 5723.5713 184.8596 -337500.9079 23334.5921 0.0000 0.0000 45101.1684 -222446.6121 164.0657 -267547.7805 -222047.7100 164.0657 -2827.1081 -2356.1408 921491.4634 -2827.1081 -2356.1408
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4854 20108.1300 5724.4776 181.0898 -338419.3259 23364.6241 0.0000 0.0000 44854.3102 -222432.2088 163.1677 -267286.5190 -222048.7862 163.1677 -3116.6758 -2394.3897 921491.4634 -3116.6758 -2394.3897
ENERGY: 451 22355.5906 20357.7256 5724.7144 177.6517 -338952.0920 23381.8006 0.0000 0.0000 44542.6990 -222411.9101 162.0341 -266954.6091 -222048.8247 162.0341 -3074.2536 -2405.7798 921491.4634 -3074.2536 -2405.7798
ENERGY: 452 22246.2020 20536.0136 5723.8954 174.8859 -338927.1549 23378.0944 0.0000 0.0000 44452.9197 -222415.1440 161.7075 -266868.0637 -222059.6371 161.7075 -2659.9609 -2384.7569 921491.4634 -2659.9609 -2384.7569
ENERGY: 453 21399.8729 20641.1312 5722.2879 173.1350 -338392.7944 23354.5908 0.0000 0.0000 44683.7035 -222418.0731 162.5470 -267101.7766 -222043.5373 162.5470 -2048.3341 -2342.4669 921491.4634 -2048.3341 -2342.4669
ENERGY: 454 20248.3381 20654.1375 5720.2218 172.3637 -337567.1423 23320.6903 0.0000 0.0000 45008.1467 -222443.2443 163.7273 -267451.3910 -222041.8392 163.7273 -1453.4579 -2293.1450 921491.4634 -1453.4579 -2293.1450
ENERGY: 455 19486.7904 20584.7121 5718.4845 172.5169 -336790.6459 23290.4026 0.0000 0.0000 45086.5790 -222451.1604 164.0126 -267537.7394 -222040.8571 164.0126 -1151.8822 -2255.8571 921491.4634 -1151.8822 -2255.8571
ENERGY: 456 19493.3720 20440.6801 5717.7556 173.4249 -336350.1080 23274.9634 0.0000 0.0000 44811.4725 -222438.4395 163.0118 -267249.9120 -222055.3486 163.0118 -1305.5001 -2245.5822 921491.4634 -1305.5001 -2245.5822
ENERGY: 457 20047.4927 20251.9435 5718.5581 174.9241 -336395.8169 23277.8278 0.0000 0.0000 44521.8703 -222403.2003 161.9583 -266925.0706 -222049.4133 161.9583 -1906.4161 -2263.5011 921491.4634 -1906.4161 -2263.5011
ENERGY: 458 20585.8433 20019.2723 5720.7061 176.6081 -336835.0963 23294.7177 0.0000 0.0000 44632.7889 -222405.1600 162.3618 -267037.9488 -222051.2823 162.3618 -2684.6984 -2301.0426 921491.4634 -2684.6984 -2301.0426
ENERGY: 459 20903.4944 19784.9689 5724.0022 178.1985 -337468.1649 23318.6988 0.0000 0.0000 45113.9369 -222444.8653 164.1121 -267558.8022 -222053.1412 164.1121 -3350.5830 -2341.5795 921491.4634 -3350.5830 -2341.5795
TIMING: 460 CPU: 215.814, 0.456537/step Wall: 215.814, 0.456537/step, 0.00507263 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: 460 21262.6140 19597.9063 5728.0972 179.4910 -338014.3775 23341.8007 0.0000 0.0000 45423.8566 -222480.6117 165.2395 -267904.4683 -222064.6837 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
ENERGY: 461 21862.8767 19507.1074 5732.5753 180.4333 -338251.6225 23355.3941 0.0000 0.0000 45154.6136 -222458.6220 164.2601 -267613.2356 -222058.0507 164.2601 -3556.1668 -2361.1799 921491.4634 -3556.1668 -2361.1799
ENERGY: 462 22264.2261 19487.8108 5736.4823 180.9531 -337988.7179 23351.1092 0.0000 0.0000 44559.9289 -222408.2075 162.0968 -266968.1364 -222056.7215 162.0968 -2954.8202 -2323.4250 921491.4634 -2954.8202 -2323.4250
ENERGY: 463 21821.1793 19513.9015 5738.9361 181.1160 -337284.1036 23326.9484 0.0000 0.0000 44313.4570 -222388.5653 161.2002 -266702.0223 -222054.6243 161.2002 -2012.4425 -2264.0777 921491.4634 -2012.4425 -2264.0777
ENERGY: 464 20535.2458 19559.9273 5739.2519 181.0096 -336389.3849 23291.1949 0.0000 0.0000 44654.0267 -222428.7288 162.4391 -267082.7555 -222058.5732 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7824 19631.8856 5737.2899 180.7155 -335701.1543 23259.7399 0.0000 0.0000 45094.5687 -222474.1723 164.0416 -267568.7410 -222052.9391 164.0416 -512.3344 -2174.4007 921491.4634 -512.3344 -2174.4007
ENERGY: 466 19088.4510 19708.3584 5733.2107 180.2808 -335443.7735 23245.0612 0.0000 0.0000 45020.7905 -222467.6209 163.7733 -267488.4114 -222052.9789 163.7733 -630.3311 -2182.6709 921491.4634 -630.3311 -2182.6709
ENERGY: 467 19841.8070 19783.1746 5727.6704 179.7757 -335721.0961 23249.4538 0.0000 0.0000 44523.6661 -222415.5486 161.9649 -266939.2146 -222054.3498 161.9649 -1393.6026 -2232.5922 921491.4634 -1393.6026 -2232.5922
ENERGY: 468 20761.8481 19845.4946 5721.5090 179.2779 -336451.5677 23265.8134 0.0000 0.0000 44291.6582 -222385.9666 161.1209 -266677.6248 -222056.3594 161.1209 -2508.6713 -2314.1340 921491.4634 -2508.6713 -2314.1340
ENERGY: 469 21236.3015 19910.2026 5715.6824 178.8504 -337458.3215 23284.3970 0.0000 0.0000 44720.3200 -222412.5676 162.6802 -267132.8876 -222046.0753 162.6802 -3596.7406 -2405.7972 921491.4634 -3596.7406 -2405.7972
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 19972.8938 5710.9491 178.5947 -338383.2521 23297.0681 0.0000 0.0000 45346.4572 -222466.1159 164.9579 -267812.5731 -222047.6092 164.9579 -4259.6996 -2477.6831 921491.4634 -4259.6996 -2477.6831
ENERGY: 471 21732.8682 20054.6838 5707.9626 178.5890 -338913.2466 23297.5094 0.0000 0.0000 45471.3362 -222470.2973 165.4122 -267941.6336 -222047.5362 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2365 20161.5553 5707.0091 178.9047 -338870.6779 23279.4500 0.0000 0.0000 45028.5292 -222433.9931 163.8014 -267462.5223 -222059.5059 163.8014 -3659.7360 -2479.9182 921491.4634 -3659.7360 -2479.9182
ENERGY: 473 21866.1364 20289.3427 5707.9843 179.6165 -338307.7201 23240.7372 0.0000 0.0000 44634.5171 -222389.3860 162.3681 -267023.9031 -222043.8541 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9703 20372.0985 5710.2161 180.7466 -337438.4561 23189.2357 0.0000 0.0000 44733.2305 -222409.9583 162.7272 -267143.1888 -222041.2621 162.7272 -1295.5522 -2316.2726 921491.4634 -1295.5522 -2316.2726
ENERGY: 475 19674.2079 20371.7672 5712.9876 182.2512 -336604.2320 23142.3827 0.0000 0.0000 45070.2136 -222450.4218 163.9531 -267520.6354 -222039.4531 163.9531 -344.6446 -2232.2123 921491.4634 -344.6446 -2232.2123
ENERGY: 476 19235.7863 20282.0272 5715.7683 184.0125 -336100.0909 23115.8476 0.0000 0.0000 45106.0629 -222460.5861 164.0835 -267566.6490 -222053.6138 164.0835 -92.4046 -2183.0651 921491.4634 -92.4046 -2183.0651
ENERGY: 477 19704.7251 20145.9810 5718.4976 185.9230 -336101.8795 23114.2949 0.0000 0.0000 44812.3204 -222420.1375 163.0149 -267232.4578 -222044.8411 163.0149 -667.4943 -2171.8226 921491.4634 -667.4943 -2171.8226
ENERGY: 478 20493.4777 19974.7635 5721.0254 187.7262 -336537.4043 23131.2470 0.0000 0.0000 44627.0330 -222402.1315 162.3409 -267029.1645 -222047.4107 162.3409 -1807.1601 -2198.7954 921491.4634 -1807.1601 -2198.7954
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2099 -337215.5845 23156.6781 0.0000 0.0000 44802.1576 -222425.5083 162.9779 -267227.6660 -222050.5460 162.9779 -3089.8514 -2246.7915 921491.4634 -3089.8514 -2246.7915
TIMING: 480 CPU: 224.932, 0.455866/step Wall: 224.932, 0.455866/step, 0.00253259 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: 480 21624.0329 19623.1962 5725.3111 190.1900 -337854.6796 23181.5127 0.0000 0.0000 45051.6812 -222458.7554 163.8856 -267510.4366 -222064.6213 163.8856 -4077.7325 -2291.4890 921491.4634 -4077.7325 -2291.4890
ENERGY: 481 22092.4858 19510.0432 5727.0953 190.6351 -338199.2492 23196.7968 0.0000 0.0000 45041.3364 -222440.8566 163.8480 -267482.1930 -222052.5269 163.8480 -4466.2394 -2305.6731 921491.4634 -4466.2394 -2305.6731
ENERGY: 482 22186.3471 19466.6794 5728.4964 190.3598 -338044.5429 23192.7483 0.0000 0.0000 44865.8516 -222414.0604 163.2096 -267279.9120 -222051.4116 163.2096 -4059.3098 -2278.0614 921491.4634 -4059.3098 -2278.0614
ENERGY: 483 21553.1415 19511.5746 5729.5660 189.3227 -337426.2196 23165.8748 0.0000 0.0000 44861.8968 -222414.8433 163.1953 -267276.7401 -222048.7675 163.1953 -2964.1722 -2216.4115 921491.4634 -2964.1722 -2216.4115
ENERGY: 484 20460.8925 19631.1941 5730.2465 187.5455 -336590.8893 23126.1359 0.0000 0.0000 45003.6030 -222451.2719 163.7107 -267454.8749 -222059.8743 163.7107 -1565.2424 -2143.1849 921491.4634 -1565.2424 -2143.1849
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5874 23092.8477 0.0000 0.0000 44955.5722 -222449.3247 163.5360 -267404.8969 -222045.9607 163.5360 -422.1568 -2086.8736 921491.4634 -422.1568 -2086.8736
ENERGY: 486 19602.5428 19954.8178 5729.7198 182.4662 -335612.3575 23080.3814 0.0000 0.0000 44645.9112 -222416.5183 162.4096 -267062.4295 -222044.6762 162.4096 87.3181 -2070.0982 921491.4634 87.3181 -2070.0982
ENERGY: 487 19881.0926 20072.0215 5727.4348 179.4360 -335846.4489 23091.0550 0.0000 0.0000 44503.3489 -222392.0601 161.8910 -266895.4090 -222045.2408 161.8910 -192.2346 -2106.8841 921491.4634 -192.2346 -2106.8841
ENERGY: 488 20125.2098 20156.1363 5723.5441 176.4338 -336552.5458 23118.8622 0.0000 0.0000 44827.0555 -222425.3041 163.0685 -267252.3596 -222057.1939 163.0685 -1145.7532 -2194.6679 921491.4634 -1145.7532 -2194.6679
ENERGY: 489 20526.8871 20236.4610 5718.5749 173.8639 -337540.4661 23156.7315 0.0000 0.0000 45266.1004 -222461.8473 164.6656 -267727.9477 -222045.6086 164.6656 -2511.2404 -2316.7066 921491.4634 -2511.2404 -2316.7066
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7491 20292.9023 5712.8912 171.8438 -338458.1367 23196.4882 0.0000 0.0000 45213.5628 -222459.6994 164.4745 -267673.2622 -222048.2208 164.4745 -3823.4039 -2437.4154 921491.4634 -3823.4039 -2437.4154
ENERGY: 491 22430.4643 20312.1361 5707.3795 170.5404 -338984.5800 23226.0941 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9656 -222049.4638 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9550 20289.6811 5702.9945 170.0208 -338937.5824 23232.7208 0.0000 0.0000 44542.1950 -222387.0153 162.0323 -266929.2103 -222060.3862 162.0323 -4606.8526 -2557.4731 921491.4634 -4606.8526 -2557.4731
ENERGY: 493 21558.2188 20260.7375 5700.7779 170.3201 -338358.0641 23214.0539 0.0000 0.0000 45033.8231 -222420.1328 163.8207 -267453.9559 -222046.5902 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3365 20225.0262 5700.9806 171.2193 -337454.3841 23183.0797 0.0000 0.0000 45622.2477 -222483.4941 165.9612 -268105.7418 -222044.0869 165.9612 -2500.8993 -2482.1070 921491.4634 -2500.8993 -2482.1070
ENERGY: 495 19383.2463 20186.8301 5703.5926 172.5416 -336566.9891 23159.4627 0.0000 0.0000 45484.1232 -222477.1927 165.4587 -267961.3158 -222041.5565 165.4587 -1249.6838 -2407.3057 921491.4634 -1249.6838 -2407.3057
ENERGY: 496 19722.4834 20130.6472 5708.0351 174.0933 -335998.7156 23154.2637 0.0000 0.0000 44699.5270 -222409.6659 162.6046 -267109.1929 -222049.0669 162.6046 -478.8997 -2343.4751 921491.4634 -478.8997 -2343.4751
ENERGY: 497 20212.6667 20059.9175 5713.4613 175.7242 -335952.5042 23166.3546 0.0000 0.0000 44261.0290 -222363.3509 161.0095 -266624.3799 -222042.7499 161.0095 -421.0231 -2316.7928 921491.4634 -421.0231 -2316.7928
ENERGY: 498 20182.0162 19957.1213 5718.5597 177.2604 -336366.4933 23189.3586 0.0000 0.0000 44728.2538 -222413.9233 162.7091 -267142.1771 -222044.5219 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0677 19847.7306 5722.4090 178.6361 -337058.4825 23219.2404 0.0000 0.0000 45439.2649 -222493.1338 165.2956 -267932.3987 -222047.2061 165.2956 -2020.8688 -2376.3391 921491.4634 -2020.8688 -2376.3391
Info: Benchmark time: 4 CPUs 0.455818 s/step 5.27568 days/ns 3224.07 MB memory
TIMING: 500 CPU: 233.979, 0.452351/step Wall: 233.979, 0.452351/step, 0 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: 500 20974.8938 19756.6582 5724.4523 179.8271 -337741.4198 23251.1008 0.0000 0.0000 45359.0781 -222495.4094 165.0039 -267854.4875 -222061.0912 165.0039 -3197.5171 -2425.4144 921491.4634 -3197.5171 -2425.4144
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, 3229.523 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.523 MB of memory in use
====================================================
WallClock: 240.847977 CPUTime: 240.847977 Memory: 3229.523438 MB
[Partition 0][Node 0] End of program
Application 109647556 resources: utime ~947s, stime ~19s, Rss ~126848, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=240.847977
CPU=240.847977
MEM=3229.523438
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins6308622709435192272.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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