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 ============== 54.2588
LDB: Largest compute 200 load 0.428504 is 1.2% of average load 36.808787
LDB: Average compute 0.051556 is 0.1% of average load 36.808787
LDB: Partitioning computes with target load 3.680879
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055403
LDB: ============== END OF LOAD BALANCING =============== 54.261
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.2619
Info: Initial time: 4 CPUs 0.473898 s/step 5.48494 days/ns 3221.48 MB memory
TIMING: 100 CPU: 48.3629, 0.472907/step Wall: 48.3629, 0.472907/step, 0.0525453 hours remaining, 3221.484375 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 ============== 63.7023
LDB: ============== END OF LOAD BALANCING =============== 63.7024
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7029
TIMING: 120 CPU: 57.8029, 0.471998/step Wall: 57.8029, 0.471998/step, 0.049822 hours remaining, 3221.617188 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 21553.6086 18898.7761 5736.4508 185.0194 -334776.0136 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0554 -2842.3154 921491.4634 -5536.0554 -2842.3154
ENERGY: 131 21530.9954 19804.6628 5745.0872 187.0957 -335083.2643 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7863 -2872.9597 921491.4634 -5164.7863 -2872.9597
ENERGY: 132 21696.5183 20951.9798 5753.4447 189.2233 -334841.7367 21081.3851 0.0000 0.0000 42732.1266 -222437.0590 155.4477 -265169.1856 -222222.8146 155.4477 -4015.6410 -2856.5553 921491.4634 -4015.6410 -2856.5553
ENERGY: 133 21569.7010 21939.4307 5759.4053 191.1377 -334187.7137 21049.8506 0.0000 0.0000 41346.5714 -222331.6171 150.4075 -263678.1885 -222209.0242 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 138 21874.8525 19195.4801 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9638 -222340.8738 155.6399 -265125.8376 -222213.1815 155.6399 -2704.7055 -2927.3524 921491.4634 -2704.7055 -2927.3524
ENERGY: 139 22116.0295 18330.1124 5724.2506 192.4679 -333575.3360 21115.6333 0.0000 0.0000 43705.6788 -222391.1635 158.9892 -266096.8423 -222217.3488 158.9892 -4443.4107 -3015.1528 921491.4634 -4443.4107 -3015.1528
TIMING: 140 CPU: 67.2385, 0.471783/step Wall: 67.2385, 0.471783/step, 0.0471783 hours remaining, 3221.921875 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 20992.5975 17997.1577 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1436 164.2224 -267695.3949 -222224.0364 164.2224 -5617.7627 -3080.3639 921491.4634 -5617.7627 -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
ENERGY: 150 21015.8992 19956.3836 5767.3089 192.0924 -334899.3755 20845.5771 0.0000 0.0000 44606.5897 -222515.5246 162.2665 -267122.1143 -222153.2668 162.2665 -4472.9373 -2881.9211 921491.4634 -4472.9373 -2881.9211
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TIMING: 160 CPU: 76.6609, 0.471118/step Wall: 76.6609, 0.471118/step, 0.0444945 hours remaining, 3222.082031 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 21093.2842 18859.3045 5717.0749 174.4916 -333735.9153 20833.5471 0.0000 0.0000 44515.8596 -222542.3534 161.9365 -267058.2130 -222175.6787 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
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ENERGY: 162 22512.8125 18508.1492 5697.2826 183.0024 -333202.6496 20887.8856 0.0000 0.0000 43070.6066 -222342.9106 156.6790 -265413.5172 -222161.4908 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9852 18346.8656 5696.1509 188.4544 -332368.8224 20884.6196 0.0000 0.0000 43005.6961 -222309.0506 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8220 -2868.7270 921491.4634 -4776.8220 -2868.7270
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ENERGY: 168 21619.4181 19999.6891 5775.3367 206.4584 -333382.4926 20963.4338 0.0000 0.0000 42492.3349 -222325.8217 154.5754 -264818.1566 -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 -332124.2126 20943.2095 0.0000 0.0000 44722.5121 -222468.0277 162.6882 -267190.5398 -222127.3369 162.6882 -2658.3220 -2727.5043 921491.4634 -2658.3220 -2727.5043
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2410 20981.6518 0.0000 0.0000 42714.2624 -222252.6195 155.3827 -264966.8819 -222125.5136 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7900 18733.9558 5737.6245 154.5770 -332975.2973 21015.2132 0.0000 0.0000 43101.1544 -222314.9824 156.7902 -265416.1368 -222126.1321 156.7902 -2936.2255 -2665.7682 921491.4634 -2936.2255 -2665.7682
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TIMING: 180 CPU: 86.0733, 0.470621/step Wall: 86.0733, 0.470621/step, 0.041833 hours remaining, 3222.222656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8755 19424.9915 5710.5468 174.1844 -332181.9080 21042.4478 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6176 -2645.2274 921491.4634 -1576.6176 -2645.2274
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ENERGY: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5886 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4733 -2731.4264 921491.4634 -2596.4733 -2731.4264
ENERGY: 187 22073.2967 19471.4304 5678.7398 184.6336 -333156.1126 21076.9264 0.0000 0.0000 42449.0054 -222222.0802 154.4178 -264671.0856 -222130.9080 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 196 19755.8661 19594.9320 5717.4229 183.5644 -332319.6950 21082.8578 0.0000 0.0000 43603.6155 -222381.4364 158.6180 -265985.0519 -222096.3130 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2730 21129.4587 0.0000 0.0000 42574.3653 -222242.4590 154.8738 -264816.8243 -222086.7183 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2862 -222391.0323 159.7372 -266302.3185 -222090.4395 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.386
LDB: Largest compute 200 load 0.423741 is 1.2% of average load 36.627596
LDB: Average compute 0.051297 is 0.1% of average load 36.627596
LDB: TIME 101.387 LOAD: AVG 36.6276 MAX 37.6825 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.54 MB
LDB: TIME 101.39 LOAD: AVG 36.6276 MAX 37.5485 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.54 MB
LDB: ============== END OF LOAD BALANCING =============== 101.392
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.395
Info: Initial time: 4 CPUs 0.471197 s/step 5.45367 days/ns 3223.52 MB memory
TIMING: 200 CPU: 95.4926, 0.470966/step Wall: 95.4926, 0.470966/step, 0.0392472 hours remaining, 3223.523438 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 21073.6836 18595.6349 5711.8747 190.0258 -334670.2809 21209.9247 0.0000 0.0000 45319.1600 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8525 -2703.6813 921491.4634 -5241.8525 -2703.6813
ENERGY: 201 23380.1029 18674.3333 5716.2802 191.4188 -334751.7130 21239.1340 0.0000 0.0000 43222.4694 -222327.9744 157.2315 -265550.4438 -222100.1080 157.2315 -4546.2005 -2661.1900 921491.4634 -4546.2005 -2661.1900
ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2751 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 19130.0390 5729.2400 192.0764 -333501.9372 21215.8253 0.0000 0.0000 44059.6985 -222431.1635 160.2771 -266490.8620 -222093.6428 160.2771 -1046.8258 -2512.4435 921491.4634 -1046.8258 -2512.4435
ENERGY: 204 17862.6124 19486.9557 5734.1463 191.2124 -332722.2200 21188.8402 0.0000 0.0000 45629.4718 -222628.9813 165.9875 -268258.4531 -222116.7005 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2551 21197.9185 0.0000 0.0000 44690.7148 -222526.2120 162.5725 -267216.9268 -222099.8063 162.5725 731.8534 -2447.6354 921491.4634 731.8534 -2447.6354
ENERGY: 206 20668.8901 20170.9986 5732.9811 187.6404 -332716.3434 21241.8390 0.0000 0.0000 42439.0583 -222274.9359 154.3816 -264713.9942 -222100.3400 154.3816 -230.6569 -2488.2938 921491.4634 -230.6569 -2488.2938
ENERGY: 207 21693.8032 20338.2891 5726.5434 185.3060 -333603.9791 21289.9000 0.0000 0.0000 42143.6912 -222226.4462 153.3072 -264370.1374 -222103.0935 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6269 -222472.1867 161.6191 -266900.8136 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8170 20325.0059 5710.3389 180.5135 -335910.2413 21349.5043 0.0000 0.0000 46273.6800 -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 21385.1734 20194.2569 5705.3139 178.4614 -336615.7768 21385.1094 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2018 164.6123 -6091.3663 -2896.2628 921491.4634 -6091.3663 -2896.2628
ENERGY: 211 24099.1928 19985.8632 5704.9373 176.9105 -336667.8927 21415.1476 0.0000 0.0000 43031.7285 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2978 -2885.1010 921491.4634 -5900.2978 -2885.1010
ENERGY: 212 23739.2710 19730.8222 5710.0295 176.0352 -336013.6226 21412.5982 0.0000 0.0000 42995.1638 -222249.7028 156.4046 -265244.8666 -222104.2321 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6443 21380.5550 0.0000 0.0000 45418.7805 -222504.4449 165.2210 -267923.2254 -222097.3837 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3935 21358.4484 0.0000 0.0000 46958.4702 -222681.1887 170.8220 -269639.6589 -222093.7409 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3321 21379.5595 0.0000 0.0000 45302.6745 -222527.8919 164.7987 -267830.5664 -222091.0449 164.7987 784.0014 -2554.0368 921491.4634 784.0014 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1060 21436.4834 0.0000 0.0000 42442.1787 -222248.3320 154.3930 -264690.5106 -222073.6158 154.3930 420.9902 -2541.5428 921491.4634 420.9902 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6756 21497.2704 0.0000 0.0000 41983.6748 -222225.0685 152.7251 -264208.7433 -222064.4467 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1146 21546.6560 0.0000 0.0000 44178.6835 -222478.5363 160.7099 -266657.2197 -222068.8157 160.7099 -2628.0651 -2703.9746 921491.4634 -2628.0651 -2703.9746
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TIMING: 220 CPU: 104.917, 0.471215/step Wall: 104.917, 0.471215/step, 0.0366501 hours remaining, 3223.523438 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: 114.333, 0.470803/step Wall: 114.333, 0.470803/step, 0.0340025 hours remaining, 3223.523438 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: 243 19462.3620 19969.6445 5749.3614 168.8705 -335233.7067 21770.4747 0.0000 0.0000 45537.0689 -222575.9247 165.6513 -268112.9937 -222061.6676 165.6513 -3760.4506 -2614.6992 921491.4634 -3760.4506 -2614.6992
ENERGY: 244 18822.2463 19849.3934 5737.4544 169.6534 -334482.6008 21720.5675 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2858 -222078.7772 165.9864 -2667.7298 -2573.2150 921491.4634 -2667.7298 -2573.2150
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ENERGY: 246 20878.5480 19853.7024 5716.8932 174.1558 -334213.1203 21705.0849 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5285 19979.6440 5712.7400 177.5412 -334802.1839 21719.8453 0.0000 0.0000 44912.1911 -222431.6938 163.3782 -267343.8849 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4923 20164.4296 5713.8450 181.3144 -335623.1350 21746.4309 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1245 -2608.3066 921491.4634 -1359.1245 -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: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9233 21746.1513 0.0000 0.0000 43667.4211 -222349.0415 158.8501 -266016.4626 -222078.3980 158.8501 -2282.5425 -2662.7815 921491.4634 -2282.5425 -2662.7815
ENERGY: 256 20899.4408 18950.9578 5693.4518 195.6570 -332975.5969 21757.6846 0.0000 0.0000 43181.1611 -222297.2439 157.0812 -265478.4050 -222071.2740 157.0812 -2042.2407 -2664.5198 921491.4634 -2042.2407 -2664.5198
ENERGY: 257 20029.5651 18878.1873 5681.1759 194.7976 -333481.0036 21780.2417 0.0000 0.0000 44488.5467 -222428.4892 161.8371 -266917.0359 -222060.1685 161.8371 -2035.5360 -2692.1441 921491.4634 -2035.5360 -2692.1441
ENERGY: 258 19453.5864 18882.0666 5673.2911 193.6684 -334373.1541 21817.5076 0.0000 0.0000 45796.2577 -222556.7763 166.5942 -268353.0341 -222062.0609 166.5942 -2331.2326 -2737.1919 921491.4634 -2331.2326 -2737.1919
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TIMING: 260 CPU: 123.739, 0.470319/step Wall: 123.739, 0.470319/step, 0.0313546 hours remaining, 3223.828125 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 19814.6777 5694.0656 188.7122 -336291.7858 21947.6072 0.0000 0.0000 44601.6344 -222438.8162 162.2485 -267040.4506 -222052.4324 162.2485 -3214.7562 -2810.4637 921491.4634 -3214.7562 -2810.4637
ENERGY: 263 19781.1228 20140.5622 5703.8103 187.9445 -335614.9712 21924.4739 0.0000 0.0000 45349.7770 -222527.2806 164.9700 -267877.0575 -222051.1549 164.9700 -2647.8117 -2773.3903 921491.4634 -2647.8117 -2773.3903
ENERGY: 264 19385.2259 20436.4305 5710.6950 187.5052 -334855.9509 21907.7771 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1927 -2723.5294 921491.4634 -2191.1927 -2723.5294
ENERGY: 265 19946.8414 20681.9925 5713.6241 187.4392 -334395.6629 21906.0162 0.0000 0.0000 43607.6373 -222352.1121 158.6326 -265959.7494 -222054.3372 158.6326 -2038.0573 -2683.6034 921491.4634 -2038.0573 -2683.6034
ENERGY: 266 20048.7897 20788.8700 5712.1327 187.6137 -334399.4572 21914.4803 0.0000 0.0000 43399.3795 -222348.1913 157.8750 -265747.5708 -222054.3635 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0903 20691.2677 5707.0583 187.8501 -334831.4850 21930.8372 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3814 -222055.6585 160.8610 -2435.4233 -2662.6783 921491.4634 -2435.4233 -2662.6783
ENERGY: 268 19962.9157 20375.7515 5700.1930 187.9286 -335513.7446 21959.1256 0.0000 0.0000 44823.5377 -222504.2926 163.0557 -267327.8303 -222075.9877 163.0557 -2903.2124 -2658.6181 921491.4634 -2903.2124 -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 22620.1932 19450.9167 5690.3173 187.1618 -336650.6774 22028.8069 0.0000 0.0000 44308.0075 -222365.2740 161.1804 -266673.2815 -222067.0436 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
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ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4615 22015.0578 0.0000 0.0000 45607.7076 -222503.3111 165.9083 -268111.0187 -222081.1573 165.9083 -2551.9686 -2501.8805 921491.4634 -2551.9686 -2501.8805
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7013 21985.5294 0.0000 0.0000 45502.7161 -222499.9697 165.5264 -268002.6858 -222069.0460 165.5264 -1837.1978 -2434.6761 921491.4634 -1837.1978 -2434.6761
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ENERGY: 276 19401.8500 19594.7509 5701.2547 182.4904 -333292.1278 21971.0408 0.0000 0.0000 44028.5271 -222412.2141 160.1637 -266440.7412 -222072.9396 160.1637 -1580.1299 -2417.6041 921491.4634 -1580.1299 -2417.6041
ENERGY: 277 19149.2969 19724.7161 5695.5210 182.9396 -333864.3450 21997.2385 0.0000 0.0000 44632.8111 -222481.8219 162.3619 -267114.6330 -222061.0989 162.3619 -2311.7543 -2498.0545 921491.4634 -2311.7543 -2498.0545
ENERGY: 278 20199.4573 19713.7760 5686.9122 183.6585 -334821.1000 22041.3357 0.0000 0.0000 44532.2541 -222463.7063 161.9961 -266995.9603 -222063.4132 161.9961 -3254.8155 -2593.7697 921491.4634 -3254.8155 -2593.7697
ENERGY: 279 21984.3647 19593.9431 5677.5176 184.5187 -335888.5798 22096.4197 0.0000 0.0000 43975.0881 -222376.7280 159.9693 -266351.8161 -222065.2025 159.9693 -4044.3212 -2682.8390 921491.4634 -4044.3212 -2682.8390
TIMING: 280 CPU: 133.14, 0.470012/step Wall: 133.14, 0.470012/step, 0.028723 hours remaining, 3223.828125 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 20943.7898 19615.5378 5669.9796 186.8360 -336942.5035 22176.7652 0.0000 0.0000 45823.3371 -222526.2579 166.6927 -268349.5950 -222063.3317 166.6927 -2992.3274 -2779.3669 921491.4634 -2992.3274 -2779.3669
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ENERGY: 285 20203.3287 20789.9628 5707.3565 186.7145 -334827.1965 22167.0163 0.0000 0.0000 43418.2632 -222354.5546 157.9437 -265772.8178 -222053.5968 157.9437 -1010.8438 -2700.0821 921491.4634 -1010.8438 -2700.0821
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8229 -334658.1148 22176.6861 0.0000 0.0000 43785.6883 -222425.2214 159.2803 -266210.9096 -222054.0584 159.2803 -1306.7501 -2717.2847 921491.4634 -1306.7501 -2717.2847
ENERGY: 287 19176.1188 20856.7822 5731.9346 184.4714 -334918.1479 22200.2908 0.0000 0.0000 44282.9440 -222485.6060 161.0892 -266768.5500 -222055.7255 161.0892 -2148.9611 -2753.3344 921491.4634 -2148.9611 -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 ============== 148.455
LDB: Largest compute 200 load 0.519082 is 1.1% of average load 45.692446
LDB: Average compute 0.063995 is 0.1% of average load 45.692446
LDB: TIME 148.457 LOAD: AVG 45.6924 MAX 47.0599 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.18 MB
LDB: TIME 148.457 LOAD: AVG 45.6924 MAX 47.0599 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.18 MB
LDB: TIME 148.474 LOAD: AVG 45.6924 MAX 46.2131 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.18 MB
LDB: ============== END OF LOAD BALANCING =============== 148.475
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.476
Info: Initial time: 4 CPUs 0.470273 s/step 5.44298 days/ns 3224.18 MB memory
TIMING: 300 CPU: 142.542, 0.470104/step Wall: 142.542, 0.470104/step, 0.0261169 hours remaining, 3224.179688 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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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: 151.762, 0.461009/step Wall: 151.762, 0.461009/step, 0.0230504 hours remaining, 3224.179688 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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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: 160.971, 0.460445/step Wall: 160.971, 0.460445/step, 0.0204642 hours remaining, 3224.179688 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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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: 170.174, 0.460184/step Wall: 170.174, 0.460184/step, 0.0178961 hours remaining, 3224.179688 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: 364 19323.8975 19612.6016 5699.8913 181.0103 -336175.2000 22790.5191 0.0000 0.0000 46034.3489 -222532.9313 167.4603 -268567.2802 -222068.5919 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ENERGY: 368 20561.5936 19748.2123 5739.6691 179.8275 -335728.0878 22808.6651 0.0000 0.0000 44272.8407 -222417.2795 161.0524 -266690.1202 -222068.2914 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4606 20251.1592 5706.5522 182.3248 -335763.5802 22794.3774 0.0000 0.0000 43848.2754 -222334.4306 159.5080 -266182.7060 -222041.4016 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2279 22821.5837 0.0000 0.0000 44474.7535 -222423.6624 161.7869 -266898.4159 -222044.3971 161.7869 -2972.9872 -2523.3498 921491.4634 -2972.9872 -2523.3498
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TIMING: 380 CPU: 179.375, 0.460017/step Wall: 179.375, 0.460017/step, 0.0153339 hours remaining, 3224.179688 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: 384 19625.4112 19596.0354 5710.5349 179.0647 -336052.0485 22884.2534 0.0000 0.0000 45539.1829 -222517.5659 165.6590 -268056.7488 -222062.0927 165.6590 -569.2379 -2166.9357 921491.4634 -569.2379 -2166.9357
ENERGY: 385 19327.8179 19356.8913 5707.7752 177.4354 -335210.6400 22871.6144 0.0000 0.0000 45299.7167 -222469.3891 164.7879 -267769.1058 -222051.0994 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2271 19220.9466 5707.6638 175.9384 -334865.1816 22880.7958 0.0000 0.0000 44519.8582 -222378.7517 161.9510 -266898.6099 -222051.0438 161.9510 122.6670 -2011.2427 921491.4634 122.6670 -2011.2427
ENERGY: 387 20367.2858 19202.4846 5710.9355 174.6759 -335109.8724 22905.2744 0.0000 0.0000 44377.1812 -222372.0350 161.4320 -266749.2162 -222053.0051 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -2019.1688
ENERGY: 388 20282.3985 19280.0169 5717.2935 173.7038 -335824.1518 22938.2901 0.0000 0.0000 44972.7756 -222459.6734 163.5986 -267432.4490 -222067.4821 163.5986 -2063.8554 -2076.2821 921491.4634 -2063.8554 -2076.2821
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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 ============== 194.508
LDB: Largest compute 230 load 0.523033 is 1.1% of average load 45.629207
LDB: Average compute 0.063886 is 0.1% of average load 45.629207
LDB: TIME 194.51 LOAD: AVG 45.6292 MAX 46.0318 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.18 MB
LDB: TIME 194.51 LOAD: AVG 45.6292 MAX 46.0318 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.18 MB
LDB: TIME 194.511 LOAD: AVG 45.6292 MAX 46.0318 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.18 MB
LDB: ============== END OF LOAD BALANCING =============== 194.511
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.512
Info: Benchmark time: 4 CPUs 0.460276 s/step 5.32727 days/ns 3224.18 MB memory
TIMING: 400 CPU: 188.573, 0.459933/step Wall: 188.573, 0.459933/step, 0.0127759 hours remaining, 3224.179688 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: 402 22444.0477 19835.9109 5715.8942 173.8391 -338107.6289 23109.6379 0.0000 0.0000 44436.8097 -222391.4894 161.6489 -266828.2991 -222049.2230 161.6489 -4939.3795 -2681.7025 921491.4634 -4939.3795 -2681.7025
ENERGY: 403 20784.9693 19778.4828 5715.7218 174.2695 -337239.9787 23077.8403 0.0000 0.0000 45225.5962 -222483.0988 164.5183 -267708.6950 -222046.6858 164.5183 -3613.5978 -2605.7429 921491.4634 -3613.5978 -2605.7429
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ENERGY: 408 19735.8469 19387.6644 5692.2152 187.5226 -335902.8222 23017.8174 0.0000 0.0000 45394.4123 -222487.3435 165.1324 -267881.7557 -222063.5314 165.1324 -920.8282 -2294.1556 921491.4634 -920.8282 -2294.1556
ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6850 23057.9922 0.0000 0.0000 45733.6060 -222498.8706 166.3663 -268232.4766 -222051.6707 166.3663 -2367.4921 -2346.9326 921491.4634 -2367.4921 -2346.9326
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 410 21850.5209 19470.1802 5687.6650 194.4179 -337813.1848 23106.2029 0.0000 0.0000 45077.0717 -222427.1263 163.9780 -267504.1980 -222054.6430 163.9780 -3838.6212 -2402.0240 921491.4634 -3838.6212 -2402.0240
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ENERGY: 414 19987.3856 20381.5505 5705.1135 199.5118 -337122.7801 23094.4557 0.0000 0.0000 45271.6531 -222483.1099 164.6858 -267754.7630 -222052.1626 164.6858 -2501.3242 -2333.9464 921491.4634 -2501.3242 -2333.9464
ENERGY: 415 19745.2665 20572.1258 5708.7452 198.1487 -336456.1976 23071.1990 0.0000 0.0000 44733.2277 -222427.4847 162.7272 -267160.7124 -222049.0348 162.7272 -1174.6452 -2266.5615 921491.4634 -1174.6452 -2266.5615
ENERGY: 416 19942.3168 20661.9895 5710.0857 195.6953 -336157.5864 23063.1714 0.0000 0.0000 44200.2854 -222384.0422 160.7885 -266584.3276 -222052.9645 160.7885 -282.7614 -2224.6897 921491.4634 -282.7614 -2224.6897
ENERGY: 417 20031.3748 20631.3209 5709.0494 192.4696 -336373.1077 23072.1097 0.0000 0.0000 44338.4623 -222398.3211 161.2911 -266736.7833 -222044.6994 161.2911 -112.4554 -2227.1699 921491.4634 -112.4554 -2227.1699
ENERGY: 418 20154.6647 20457.0909 5705.5848 188.6536 -336970.7869 23098.6724 0.0000 0.0000 44915.1425 -222450.9779 163.3889 -267366.1205 -222046.7094 163.3889 -671.8547 -2269.9921 921491.4634 -671.8547 -2269.9921
ENERGY: 419 20790.7630 20185.5524 5700.4811 184.6054 -337717.8757 23139.8021 0.0000 0.0000 45250.3103 -222466.3614 164.6082 -267716.6717 -222049.5951 164.6082 -1783.9422 -2336.6465 921491.4634 -1783.9422 -2336.6465
TIMING: 420 CPU: 197.746, 0.458601/step Wall: 197.745, 0.458601/step, 0.0101911 hours remaining, 3224.179688 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: 422 22275.7611 19449.5350 5688.9977 174.4058 -338225.0315 23208.5473 0.0000 0.0000 45004.7085 -222423.0762 163.7148 -267427.7846 -222052.8454 163.7148 -4363.1152 -2465.6374 921491.4634 -4363.1152 -2465.6374
ENERGY: 423 21418.8983 19324.4275 5689.6737 172.2145 -337416.8957 23180.6037 0.0000 0.0000 45183.9713 -222447.1068 164.3669 -267631.0780 -222051.5237 164.3669 -3955.8307 -2434.9307 921491.4634 -3955.8307 -2434.9307
ENERGY: 424 20531.3308 19270.7818 5692.6543 170.6563 -336406.2763 23140.4643 0.0000 0.0000 45151.0456 -222449.3433 164.2471 -267600.3889 -222060.4130 164.2471 -3030.1609 -2370.2034 921491.4634 -3030.1609 -2370.2034
ENERGY: 425 19942.3359 19314.5611 5697.3263 169.6876 -335607.5205 23103.7917 0.0000 0.0000 44956.0479 -222423.7700 163.5377 -267379.8179 -222050.7966 163.5377 -1980.9654 -2297.0091 921491.4634 -1980.9654 -2297.0091
ENERGY: 426 19603.3345 19432.3072 5702.4947 169.0990 -335270.6875 23080.2889 0.0000 0.0000 44862.7383 -222420.4249 163.1983 -267283.1632 -222049.1092 163.1983 -1125.8052 -2237.7215 921491.4634 -1125.8052 -2237.7215
ENERGY: 427 19598.5314 19595.2901 5707.1505 168.7509 -335498.4318 23074.5003 0.0000 0.0000 44915.2774 -222438.9313 163.3894 -267354.2086 -222048.7340 163.3894 -741.9010 -2207.6356 921491.4634 -741.9010 -2207.6356
ENERGY: 428 20140.4226 19760.4172 5710.4629 168.5259 -336199.9848 23087.7673 0.0000 0.0000 44884.2593 -222448.1295 163.2766 -267332.3888 -222058.0548 163.2766 -935.5732 -2206.9584 921491.4634 -935.5732 -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 22013.9870 20024.3737 5712.1700 168.1897 -338096.9197 23149.4488 0.0000 0.0000 44626.3099 -222402.4405 162.3383 -267028.7504 -222047.3913 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3701 20188.6723 5710.3547 168.1086 -338651.2096 23176.0841 0.0000 0.0000 45177.9911 -222461.6288 164.3451 -267639.6199 -222065.9061 164.3451 -3350.2743 -2296.1499 921491.4634 -3350.2743 -2296.1499
ENERGY: 433 21200.9070 20275.9662 5710.3764 168.4633 -338164.0633 23162.2905 0.0000 0.0000 45192.9285 -222453.1314 164.3995 -267646.0598 -222052.5985 164.3995 -3187.3735 -2272.1278 921491.4634 -3187.3735 -2272.1278
ENERGY: 434 20730.3412 20338.1498 5711.6061 169.3247 -337394.2700 23140.7730 0.0000 0.0000 44883.0997 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3110 -2227.7887 921491.4634 -2694.3110 -2227.7887
ENERGY: 435 20235.2201 20362.4015 5714.0003 170.8455 -336680.6552 23123.4092 0.0000 0.0000 44675.9839 -222398.7947 162.5190 -267074.7786 -222049.5891 162.5190 -2061.3585 -2179.8953 921491.4634 -2061.3585 -2179.8953
ENERGY: 436 19670.9241 20349.9982 5717.2346 173.0864 -336303.8809 23119.9073 0.0000 0.0000 44847.0984 -222425.6319 163.1414 -267272.7303 -222059.6962 163.1414 -1520.6601 -2145.1619 921491.4634 -1520.6601 -2145.1619
ENERGY: 437 19434.5514 20329.5093 5720.9894 175.9827 -336411.9782 23136.3863 0.0000 0.0000 45159.2688 -222455.2903 164.2770 -267614.5591 -222050.7505 164.2770 -1319.1171 -2134.4850 921491.4634 -1319.1171 -2134.4850
ENERGY: 438 19935.1530 20278.6097 5724.6884 179.3849 -336899.4574 23173.5514 0.0000 0.0000 45148.1324 -222459.9376 164.2365 -267608.0700 -222051.5670 164.2365 -1493.0943 -2145.0883 921491.4634 -1493.0943 -2145.0883
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TIMING: 440 CPU: 206.915, 0.458469/step Wall: 206.915, 0.458469/step, 0.00764116 hours remaining, 3224.179688 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: 440 22071.5682 20036.2374 5729.7527 186.7202 -338123.1805 23276.2480 0.0000 0.0000 44417.5459 -222405.1082 161.5788 -266822.6540 -222059.4776 161.5788 -2408.4613 -2197.9673 921491.4634 -2408.4613 -2197.9673
ENERGY: 441 22355.5484 19860.0411 5730.3488 190.1146 -338361.1714 23313.2039 0.0000 0.0000 44502.6964 -222409.2182 161.8886 -266911.9146 -222050.0863 161.8886 -2716.1028 -2221.5315 921491.4634 -2716.1028 -2221.5315
ENERGY: 442 21853.6116 19664.5352 5729.4855 192.9412 -338090.1532 23327.1562 0.0000 0.0000 44880.6320 -222441.7917 163.2634 -267322.4236 -222049.7758 163.2634 -2710.5578 -2229.0698 921491.4634 -2710.5578 -2229.0698
ENERGY: 443 21064.3315 19487.0725 5727.6165 194.9329 -337369.3149 23320.0152 0.0000 0.0000 45118.1106 -222457.2357 164.1273 -267575.3463 -222048.5999 164.1273 -2448.1650 -2220.3533 921491.4634 -2448.1650 -2220.3533
ENERGY: 444 20449.3363 19357.2692 5725.4095 195.8735 -336464.1922 23301.5270 0.0000 0.0000 44987.7174 -222447.0592 163.6530 -267434.7766 -222057.9802 163.6530 -2090.2103 -2206.4402 921491.4634 -2090.2103 -2206.4402
ENERGY: 445 20125.5608 19307.2520 5723.6513 195.6942 -335759.3913 23283.8132 0.0000 0.0000 44708.7151 -222414.7046 162.6380 -267123.4197 -222046.5432 162.6380 -1846.9630 -2201.6928 921491.4634 -1846.9630 -2201.6928
ENERGY: 446 19947.6804 19324.9008 5722.5430 194.3235 -335494.5706 23276.0445 0.0000 0.0000 44620.2942 -222408.7843 162.3164 -267029.0785 -222046.1625 162.3164 -1800.7522 -2216.7296 921491.4634 -1800.7522 -2216.7296
ENERGY: 447 19914.2845 19416.0212 5722.2107 191.8641 -335769.4396 23282.7452 0.0000 0.0000 44816.5085 -222425.8054 163.0301 -267242.3139 -222046.8347 163.0301 -1993.3115 -2253.0605 921491.4634 -1993.3115 -2253.0605
ENERGY: 448 20187.5918 19583.6801 5722.5765 188.5554 -336503.1792 23303.8898 0.0000 0.0000 45065.6671 -222451.2186 163.9365 -267516.8857 -222059.3482 163.9365 -2372.1878 -2303.7899 921491.4634 -2372.1878 -2303.7899
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4851 20108.1299 5724.4776 181.0897 -338419.3241 23364.6236 0.0000 0.0000 44854.3093 -222432.2087 163.1676 -267286.5180 -222048.7861 163.1676 -3116.6756 -2394.3897 921491.4634 -3116.6756 -2394.3897
ENERGY: 451 22355.5900 20357.7254 5724.7144 177.6517 -338952.0901 23381.8001 0.0000 0.0000 44542.6984 -222411.9101 162.0341 -266954.6086 -222048.8247 162.0341 -3074.2533 -2405.7798 921491.4634 -3074.2533 -2405.7798
ENERGY: 452 22246.2013 20536.0133 5723.8953 174.8859 -338927.1532 23378.0938 0.0000 0.0000 44452.9195 -222415.1441 161.7075 -266868.0636 -222059.6372 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8727 20641.1309 5722.2879 173.1350 -338392.7930 23354.5902 0.0000 0.0000 44683.7032 -222418.0731 162.5470 -267101.7763 -222043.5373 162.5470 -2048.3340 -2342.4669 921491.4634 -2048.3340 -2342.4669
ENERGY: 454 20248.3383 20654.1373 5720.2217 172.3637 -337567.1411 23320.6896 0.0000 0.0000 45008.1463 -222443.2443 163.7273 -267451.3906 -222041.8392 163.7273 -1453.4581 -2293.1451 921491.4634 -1453.4581 -2293.1451
ENERGY: 455 19486.7908 20584.7120 5718.4844 172.5169 -336790.6450 23290.4018 0.0000 0.0000 45086.5786 -222451.1604 164.0126 -267537.7390 -222040.8571 164.0126 -1151.8827 -2255.8572 921491.4634 -1151.8827 -2255.8572
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1073 23274.9627 0.0000 0.0000 44811.4724 -222438.4398 163.0118 -267249.9122 -222055.3488 163.0118 -1305.5007 -2245.5824 921491.4634 -1305.5007 -2245.5824
ENERGY: 457 20047.4926 20251.9435 5718.5580 174.9241 -336395.8162 23277.8270 0.0000 0.0000 44521.8704 -222403.2005 161.9583 -266925.0709 -222049.4135 161.9583 -1906.4167 -2263.5014 921491.4634 -1906.4167 -2263.5014
ENERGY: 458 20585.8432 20019.2723 5720.7061 176.6081 -336835.0955 23294.7168 0.0000 0.0000 44632.7888 -222405.1602 162.3618 -267037.9490 -222051.2825 162.3618 -2684.6988 -2301.0429 921491.4634 -2684.6988 -2301.0429
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TIMING: 460 CPU: 216.073, 0.457928/step Wall: 216.073, 0.457928/step, 0.00508809 hours remaining, 3224.179688 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: 460 21262.6137 19597.9064 5728.0972 179.4910 -338014.3762 23341.7997 0.0000 0.0000 45423.8565 -222480.6116 165.2395 -267904.4681 -222064.6835 165.2395 -3669.8201 -2365.2413 921491.4634 -3669.8201 -2365.2413
ENERGY: 461 21862.8761 19507.1076 5732.5753 180.4333 -338251.6212 23355.3931 0.0000 0.0000 45154.6138 -222458.6219 164.2601 -267613.2357 -222058.0506 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2255 19487.8110 5736.4823 180.9531 -337988.7167 23351.1082 0.0000 0.0000 44559.9292 -222408.2074 162.0968 -266968.1366 -222056.7214 162.0968 -2954.8201 -2323.4252 921491.4634 -2954.8201 -2323.4252
ENERGY: 463 21821.1792 19513.9017 5738.9361 181.1160 -337284.1026 23326.9473 0.0000 0.0000 44313.4570 -222388.5652 161.2002 -266702.0222 -222054.6242 161.2002 -2012.4426 -2264.0779 921491.4634 -2012.4426 -2264.0779
ENERGY: 464 20535.2462 19559.9274 5739.2519 181.0096 -336389.3839 23291.1938 0.0000 0.0000 44654.0265 -222428.7286 162.4391 -267082.7551 -222058.5731 162.4391 -1050.9231 -2205.5270 921491.4634 -1050.9231 -2205.5270
ENERGY: 465 19322.7828 19631.8856 5737.2899 180.7155 -335701.1532 23259.7387 0.0000 0.0000 45094.5687 -222474.1721 164.0416 -267568.7408 -222052.9389 164.0416 -512.3350 -2174.4010 921491.4634 -512.3350 -2174.4010
ENERGY: 466 19088.4509 19708.3583 5733.2107 180.2808 -335443.7723 23245.0600 0.0000 0.0000 45020.7908 -222467.6208 163.7733 -267488.4116 -222052.9787 163.7733 -630.3317 -2182.6712 921491.4634 -630.3317 -2182.6712
ENERGY: 467 19841.8067 19783.1744 5727.6704 179.7757 -335721.0947 23249.4526 0.0000 0.0000 44523.6666 -222415.5484 161.9649 -266939.2150 -222054.3496 161.9649 -1393.6031 -2232.5925 921491.4634 -1393.6031 -2232.5925
ENERGY: 468 20761.8479 19845.4943 5721.5090 179.2779 -336451.5664 23265.8121 0.0000 0.0000 44291.6586 -222385.9666 161.1209 -266677.6252 -222056.3594 161.1209 -2508.6716 -2314.1342 921491.4634 -2508.6716 -2314.1342
ENERGY: 469 21236.3014 19910.2022 5715.6824 178.8504 -337458.3200 23284.3958 0.0000 0.0000 44720.3203 -222412.5676 162.6802 -267132.8879 -222046.0754 162.6802 -3596.7407 -2405.7974 921491.4634 -3596.7407 -2405.7974
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1729 19972.8934 5710.9491 178.5947 -338383.2507 23297.0669 0.0000 0.0000 45346.4576 -222466.1160 164.9579 -267812.5736 -222047.6092 164.9579 -4259.6996 -2477.6833 921491.4634 -4259.6996 -2477.6833
ENERGY: 471 21732.8676 20054.6835 5707.9626 178.5890 -338913.2453 23297.5082 0.0000 0.0000 45471.3370 -222470.2974 165.4122 -267941.6344 -222047.5363 165.4122 -4290.5684 -2504.3177 921491.4634 -4290.5684 -2504.3177
ENERGY: 472 22081.2360 20161.5551 5707.0091 178.9047 -338870.6770 23279.4488 0.0000 0.0000 45028.5300 -222433.9933 163.8014 -267462.5233 -222059.5062 163.8014 -3659.7363 -2479.9186 921491.4634 -3659.7363 -2479.9186
ENERGY: 473 21866.1363 20289.3425 5707.9843 179.6165 -338307.7194 23240.7360 0.0000 0.0000 44634.5175 -222389.3863 162.3681 -267023.9038 -222043.8544 162.3681 -2556.3619 -2408.1659 921491.4634 -2556.3619 -2408.1659
ENERGY: 474 20842.9705 20372.0986 5710.2160 180.7466 -337438.4555 23189.2345 0.0000 0.0000 44733.2307 -222409.9586 162.7272 -267143.1892 -222041.2624 162.7272 -1295.5528 -2316.2730 921491.4634 -1295.5528 -2316.2730
ENERGY: 475 19674.2080 20371.7674 5712.9876 182.2512 -336604.2315 23142.3815 0.0000 0.0000 45070.2138 -222450.4220 163.9531 -267520.6358 -222039.4534 163.9531 -344.6452 -2232.2127 921491.4634 -344.6452 -2232.2127
ENERGY: 476 19235.7859 20282.0274 5715.7683 184.0125 -336100.0903 23115.8464 0.0000 0.0000 45106.0633 -222460.5864 164.0835 -267566.6497 -222053.6141 164.0835 -92.4051 -2183.0653 921491.4634 -92.4051 -2183.0653
ENERGY: 477 19704.7246 20145.9813 5718.4976 185.9230 -336101.8787 23114.2937 0.0000 0.0000 44812.3207 -222420.1378 163.0149 -267232.4584 -222044.8414 163.0149 -667.4946 -2171.8229 921491.4634 -667.4946 -2171.8229
ENERGY: 478 20493.4773 19974.7638 5721.0254 187.7262 -336537.4032 23131.2458 0.0000 0.0000 44627.0329 -222402.1317 162.3409 -267029.1647 -222047.4110 162.3409 -1807.1603 -2198.7956 921491.4634 -1807.1603 -2198.7956
ENERGY: 479 21125.3055 19793.3956 5723.3295 189.2099 -337215.5833 23156.6769 0.0000 0.0000 44802.1574 -222425.5085 162.9779 -267227.6659 -222050.5463 162.9779 -3089.8514 -2246.7917 921491.4634 -3089.8514 -2246.7917
TIMING: 480 CPU: 225.236, 0.458133/step Wall: 225.236, 0.458133/step, 0.00254519 hours remaining, 3224.179688 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: 480 21624.0324 19623.1964 5725.3111 190.1901 -337854.6779 23181.5115 0.0000 0.0000 45051.6811 -222458.7553 163.8856 -267510.4364 -222064.6213 163.8856 -4077.7325 -2291.4892 921491.4634 -4077.7325 -2291.4892
ENERGY: 481 22092.4850 19510.0432 5727.0953 190.6351 -338199.2474 23196.7956 0.0000 0.0000 45041.3365 -222440.8566 163.8480 -267482.1932 -222052.5269 163.8480 -4466.2392 -2305.6733 921491.4634 -4466.2392 -2305.6733
ENERGY: 482 22186.3465 19466.6794 5728.4964 190.3598 -338044.5412 23192.7472 0.0000 0.0000 44865.8516 -222414.0604 163.2096 -267279.9120 -222051.4116 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1414 19511.5745 5729.5661 189.3227 -337426.2179 23165.8738 0.0000 0.0000 44861.8963 -222414.8433 163.1952 -267276.7396 -222048.7675 163.1952 -2964.1723 -2216.4116 921491.4634 -2964.1723 -2216.4116
ENERGY: 484 20460.8927 19631.1940 5730.2465 187.5455 -336590.8879 23126.1349 0.0000 0.0000 45003.6024 -222451.2720 163.7107 -267454.8743 -222059.8745 163.7107 -1565.2427 -2143.1850 921491.4634 -1565.2427 -2143.1850
ENERGY: 485 19688.7720 19800.2992 5730.5256 185.2458 -335902.5859 23092.8468 0.0000 0.0000 44955.5716 -222449.3248 163.5360 -267404.8964 -222045.9608 163.5360 -422.1572 -2086.8736 921491.4634 -422.1572 -2086.8736
ENERGY: 486 19602.5425 19954.8177 5729.7198 182.4662 -335612.3559 23080.3805 0.0000 0.0000 44645.9108 -222416.5184 162.4096 -267062.4292 -222044.6763 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0922 20072.0214 5727.4348 179.4360 -335846.4471 23091.0542 0.0000 0.0000 44503.3484 -222392.0602 161.8910 -266895.4086 -222045.2409 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2095 20156.1361 5723.5441 176.4338 -336552.5438 23118.8614 0.0000 0.0000 44827.0546 -222425.3042 163.0685 -267252.3588 -222057.1939 163.0685 -1145.7532 -2194.6679 921491.4634 -1145.7532 -2194.6679
ENERGY: 489 20526.8868 20236.4608 5718.5749 173.8639 -337540.4640 23156.7308 0.0000 0.0000 45266.0994 -222461.8474 164.6656 -267727.9468 -222045.6086 164.6656 -2511.2402 -2316.7066 921491.4634 -2511.2402 -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 21410.7486 20292.9019 5712.8912 171.8438 -338458.1346 23196.4876 0.0000 0.0000 45213.5620 -222459.6994 164.4745 -267673.2615 -222048.2209 164.4745 -3823.4036 -2437.4154 921491.4634 -3823.4036 -2437.4154
ENERGY: 491 22430.4636 20312.1357 5707.3795 170.5404 -338984.5779 23226.0936 0.0000 0.0000 44733.0082 -222404.9569 162.7264 -267137.9651 -222049.4639 162.7264 -4629.6933 -2524.6215 921491.4634 -4629.6933 -2524.6215
ENERGY: 492 22612.9545 20289.6808 5702.9945 170.0207 -338937.5803 23232.7204 0.0000 0.0000 44542.1943 -222387.0152 162.0323 -266929.2095 -222060.3861 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2187 20260.7372 5700.7779 170.3200 -338358.0622 23214.0535 0.0000 0.0000 45033.8221 -222420.1327 163.8207 -267453.9548 -222046.5901 163.8207 -3796.3820 -2540.0996 921491.4634 -3796.3820 -2540.0996
ENERGY: 494 20068.3367 20225.0260 5700.9806 171.2193 -337454.3825 23183.0794 0.0000 0.0000 45622.2466 -222483.4940 165.9612 -268105.7406 -222044.0868 165.9612 -2500.8995 -2482.1069 921491.4634 -2500.8995 -2482.1069
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9876 23159.4624 0.0000 0.0000 45484.1221 -222477.1926 165.4587 -267961.3147 -222041.5564 165.4587 -1249.6840 -2407.3056 921491.4634 -1249.6840 -2407.3056
ENERGY: 496 19722.4832 20130.6474 5708.0350 174.0933 -335998.7150 23154.2634 0.0000 0.0000 44699.5261 -222409.6665 162.6046 -267109.1927 -222049.0675 162.6046 -478.9001 -2343.4753 921491.4634 -478.9001 -2343.4753
ENERGY: 497 20212.6665 20059.9178 5713.4613 175.7242 -335952.5036 23166.3543 0.0000 0.0000 44261.0279 -222363.3516 161.0095 -266624.3795 -222042.7505 161.0095 -421.0234 -2316.7930 921491.4634 -421.0234 -2316.7930
ENERGY: 498 20182.0162 19957.1217 5718.5597 177.2604 -336366.4927 23189.3583 0.0000 0.0000 44728.2526 -222413.9238 162.7091 -267142.1764 -222044.5225 162.7091 -993.4679 -2331.6475 921491.4634 -993.4679 -2331.6475
ENERGY: 499 20158.0676 19847.7310 5722.4090 178.6361 -337058.4818 23219.2402 0.0000 0.0000 45439.2636 -222493.1344 165.2956 -267932.3981 -222047.2067 165.2956 -2020.8687 -2376.3392 921491.4634 -2020.8687 -2376.3392
Info: Benchmark time: 4 CPUs 0.457424 s/step 5.29426 days/ns 3224.18 MB memory
TIMING: 500 CPU: 234.316, 0.453998/step Wall: 234.316, 0.453998/step, 0 hours remaining, 3224.179688 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: 500 20974.8934 19756.6585 5724.4523 179.8271 -337741.4183 23251.1006 0.0000 0.0000 45359.0772 -222495.4093 165.0039 -267854.4865 -222061.0911 165.0039 -3197.5166 -2425.4143 921491.4634 -3197.5166 -2425.4143
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3229.477 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.477 MB of memory in use
====================================================
WallClock: 241.144043 CPUTime: 241.144043 Memory: 3229.476562 MB
[Partition 0][Node 0] End of program
Application 109753412 resources: utime ~948s, stime ~19s, Rss ~126724, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.144043
CPU=241.144043
MEM=3229.476562
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins13133383818453287026.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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