Skipping 717 KB..
Full Log
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.3229
LDB: Largest compute 200 load 0.431960 is 1.2% of average load 36.733674
LDB: Average compute 0.051456 is 0.1% of average load 36.733674
LDB: Partitioning computes with target load 3.673367
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055017
LDB: ============== END OF LOAD BALANCING =============== 54.3251
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3259
Info: Initial time: 4 CPUs 0.474144 s/step 5.48778 days/ns 3221.59 MB memory
TIMING: 100 CPU: 48.3884, 0.473097/step Wall: 48.3884, 0.473097/step, 0.0525663 hours remaining, 3221.585938 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 ============== 63.7674
LDB: ============== END OF LOAD BALANCING =============== 63.7675
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.768
TIMING: 120 CPU: 57.8272, 0.471937/step Wall: 57.8272, 0.471937/step, 0.0498155 hours remaining, 3221.757812 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0138 21118.0423 0.0000 0.0000 44811.1497 -222472.9668 163.0106 -267284.1165 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8376 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.2653, 0.471904/step Wall: 67.2653, 0.471904/step, 0.0471904 hours remaining, 3221.890625 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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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: 76.6896, 0.471215/step Wall: 76.6896, 0.471215/step, 0.0445037 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 21093.2843 18859.3045 5717.0749 174.4915 -333735.9154 20833.5472 0.0000 0.0000 44515.8597 -222542.3532 161.9365 -267058.2129 -222175.6786 161.9365 -3202.8705 -2752.7604 921491.4634 -3202.8705 -2752.7604
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ENERGY: 162 22512.8125 18508.1493 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6068 -222342.9104 156.6790 -265413.5171 -222161.4906 156.6790 -5004.1554 -2859.8870 921491.4634 -5004.1554 -2859.8870
ENERGY: 163 21937.9852 18346.8658 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6962 -222309.0504 156.4429 -265314.7467 -222160.7801 156.4429 -4776.8219 -2868.7270 921491.4634 -4776.8219 -2868.7270
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ENERGY: 167 21026.8307 19216.2868 5755.9248 205.8794 -332212.1863 20917.6389 0.0000 0.0000 42775.8062 -222313.8196 155.6066 -265089.6258 -222150.5298 155.6066 -1671.2499 -2889.5868 921491.4634 -1671.2499 -2889.5868
ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3351 -222325.8217 154.5754 -264818.1568 -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 19195.1040 18891.7629 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5120 -222468.0277 162.6882 -267190.5397 -222127.3369 162.6882 -2658.3221 -2727.5044 921491.4634 -2658.3221 -2727.5044
ENERGY: 177 21863.3196 18664.1735 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2625 -222252.6195 155.3827 -264966.8820 -222125.5136 155.3827 -2870.6846 -2681.8089 921491.4634 -2870.6846 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1546 -222314.9824 156.7902 -265416.1370 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.1027, 0.470655/step Wall: 86.1027, 0.470655/step, 0.041836 hours remaining, 3222.320312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 183 22149.3487 19677.1535 5722.7616 169.5349 -332921.8737 21084.4911 0.0000 0.0000 41834.8234 -222283.7605 152.1836 -264118.5839 -222131.2588 152.1836 -1990.8046 -2626.5158 921491.4634 -1990.8046 -2626.5158
ENERGY: 184 18376.8757 19424.9916 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3089 163.2631 -267452.8616 -222144.6141 163.2631 -1576.6176 -2645.2273 921491.4634 -1576.6176 -2645.2273
ENERGY: 185 16957.7745 19234.6874 5697.7241 178.4155 -331895.6962 21023.9443 0.0000 0.0000 46149.4987 -222653.6517 167.8792 -268803.1504 -222128.1655 167.8792 -1752.9883 -2679.2076 921491.4634 -1752.9883 -2679.2076
ENERGY: 186 19266.0406 19234.9571 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5887 -222435.3690 161.4844 -266826.9577 -222129.2886 161.4844 -2596.4732 -2731.4262 921491.4634 -2596.4732 -2731.4262
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0057 -222222.0800 154.4178 -264671.0857 -222130.9078 154.4178 -3641.8535 -2802.0866 921491.4634 -3641.8535 -2802.0866
ENERGY: 188 22101.1829 19886.6772 5676.0120 186.3502 -334382.7612 21093.9045 0.0000 0.0000 43113.1616 -222325.4728 156.8338 -265438.6344 -222135.3909 156.8338 -4316.2654 -2887.0591 921491.4634 -4316.2654 -2887.0591
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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 -332319.6951 21082.8579 0.0000 0.0000 43603.6155 -222381.4362 158.6180 -265985.0517 -222096.3128 158.6180 -1480.5940 -2574.8092 921491.4634 -1480.5940 -2574.8092
ENERGY: 197 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7437 -2596.5494 921491.4634 -3040.7437 -2596.5494
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4998 21161.1534 0.0000 0.0000 43911.2864 -222391.0322 159.7372 -266302.3185 -222090.4393 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
ENERGY: 199 20113.4048 18634.4040 5710.3429 188.2374 -334151.8588 21182.1777 0.0000 0.0000 45722.9588 -222600.3331 166.3276 -268323.2920 -222093.2752 166.3276 -5152.2284 -2691.5412 921491.4634 -5152.2284 -2691.5412
LDB: ============= START OF LOAD BALANCING ============== 101.459
LDB: Largest compute 200 load 0.427220 is 1.2% of average load 36.549839
LDB: Average compute 0.051195 is 0.1% of average load 36.549839
LDB: TIME 101.461 LOAD: AVG 36.5498 MAX 37.6906 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.64 MB
LDB: TIME 101.463 LOAD: AVG 36.5498 MAX 37.458 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.64 MB
LDB: ============== END OF LOAD BALANCING =============== 101.465
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.468
Info: Initial time: 4 CPUs 0.471281 s/step 5.45464 days/ns 3223.77 MB memory
TIMING: 200 CPU: 95.5264, 0.471188/step Wall: 95.5264, 0.471188/step, 0.0392656 hours remaining, 3223.773438 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 200 21073.6837 18595.6350 5711.8747 190.0258 -334670.2811 21209.9248 0.0000 0.0000 45319.1600 -222569.9772 164.8586 -267889.1372 -222114.5245 164.8586 -5241.8524 -2703.6812 921491.4634 -5241.8524 -2703.6812
ENERGY: 201 23380.1030 18674.3334 5716.2802 191.4189 -334751.7132 21239.1341 0.0000 0.0000 43222.4695 -222327.9742 157.2315 -265550.4437 -222100.1078 157.2315 -4546.2003 -2661.1900 921491.4634 -4546.2003 -2661.1900
ENERGY: 202 23622.8116 18850.8451 5722.5980 192.1474 -334305.3007 21243.2752 0.0000 0.0000 42432.5587 -222241.0647 154.3580 -264673.6234 -222096.8291 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8945 19130.0391 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6986 -222431.1634 160.2771 -266490.8620 -222093.6427 160.2771 -1046.8257 -2512.4434 921491.4634 -1046.8257 -2512.4434
ENERGY: 204 17862.6125 19486.9557 5734.1463 191.2124 -332722.2201 21188.8403 0.0000 0.0000 45629.4719 -222628.9811 165.9875 -268258.4529 -222116.7003 165.9875 452.9932 -2462.2929 921491.4634 452.9932 -2462.2929
ENERGY: 205 18189.0792 19868.9414 5735.7153 189.6741 -332398.2552 21197.9186 0.0000 0.0000 44690.7149 -222526.2118 162.5725 -267216.9267 -222099.8061 162.5725 731.8534 -2447.6353 921491.4634 731.8534 -2447.6353
ENERGY: 206 20668.8902 20170.9985 5732.9811 187.6404 -332716.3435 21241.8391 0.0000 0.0000 42439.0585 -222274.9357 154.3816 -264713.9942 -222100.3398 154.3816 -230.6569 -2488.2937 921491.4634 -230.6569 -2488.2937
ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9792 21289.9001 0.0000 0.0000 42143.6915 -222226.4460 153.3072 -264370.1375 -222103.0933 153.3072 -1896.3478 -2585.9683 921491.4634 -1896.3478 -2585.9683
ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2377 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6314 161.6191 -3669.0642 -2719.7952 921491.4634 -3669.0642 -2719.7952
ENERGY: 209 19428.8171 20325.0057 5710.3389 180.5135 -335910.2412 21349.5044 0.0000 0.0000 46273.6801 -222642.3815 168.3309 -268916.0616 -222106.7900 168.3309 -5197.7273 -2836.6306 921491.4634 -5197.7273 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2567 5705.3139 178.4614 -336615.7767 21385.1096 0.0000 0.0000 45251.4334 -222516.0282 164.6123 -267767.4615 -222108.2016 164.6123 -6091.3662 -2896.2627 921491.4634 -6091.3662 -2896.2627
ENERGY: 211 24099.1929 19985.8631 5704.9373 176.9105 -336667.8926 21415.1477 0.0000 0.0000 43031.7284 -222254.1128 156.5376 -265285.8413 -222106.8541 156.5376 -5900.2977 -2885.1010 921491.4634 -5900.2977 -2885.1010
ENERGY: 212 23739.2709 19730.8221 5710.0295 176.0352 -336013.6224 21412.5983 0.0000 0.0000 42995.1638 -222249.7025 156.4046 -265244.8663 -222104.2317 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6441 21380.5552 0.0000 0.0000 45418.7805 -222504.4445 165.2210 -267923.2251 -222097.3833 165.2210 -2174.3117 -2725.0840 921491.4634 -2174.3117 -2725.0840
ENERGY: 214 17315.5530 19421.7448 5733.3059 176.6827 -333645.3934 21358.4486 0.0000 0.0000 46958.4702 -222681.1883 170.8220 -269639.6585 -222093.7406 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5056 19441.9743 5746.5772 178.1492 -332787.3321 21379.5596 0.0000 0.0000 45302.6745 -222527.8915 164.7987 -267830.5660 -222091.0446 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1063 21436.4836 0.0000 0.0000 42442.1788 -222248.3319 154.3930 -264690.5107 -222073.6157 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6760 21497.2706 0.0000 0.0000 41983.6751 -222225.0684 152.7251 -264208.7435 -222064.4466 152.7251 -882.1699 -2598.7243 921491.4634 -882.1699 -2598.7243
ENERGY: 218 20165.9156 19540.0891 5761.2415 184.9927 -333856.1149 21546.6561 0.0000 0.0000 44178.6836 -222478.5362 160.7099 -266657.2198 -222068.8156 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
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TIMING: 220 CPU: 104.948, 0.471062/step Wall: 104.948, 0.471062/step, 0.0366382 hours remaining, 3223.773438 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: 114.364, 0.470793/step Wall: 114.364, 0.470793/step, 0.0340017 hours remaining, 3223.773438 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 22110.7715 20111.8208 5758.5348 169.0441 -335904.8195 21831.0568 0.0000 0.0000 43526.8720 -222396.7195 158.3388 -265923.5915 -222063.5735 158.3388 -4623.1687 -2633.0912 921491.4634 -4623.1687 -2633.0912
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7067 21770.4749 0.0000 0.0000 45537.0690 -222575.9245 165.6513 -268112.9935 -222061.6673 165.6513 -3760.4504 -2614.6991 921491.4634 -3760.4504 -2614.6991
ENERGY: 244 18822.2465 19849.3932 5737.4544 169.6534 -334482.6007 21720.5677 0.0000 0.0000 45629.1662 -222554.1192 165.9864 -268183.2854 -222078.7769 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2370 19811.7597 5725.7785 171.4559 -334087.5944 21701.2471 0.0000 0.0000 44168.5248 -222360.5915 160.6730 -266529.1163 -222068.6363 160.6730 -1771.6901 -2533.5454 921491.4634 -1771.6901 -2533.5454
ENERGY: 246 20878.5481 19853.7022 5716.8932 174.1558 -334213.1203 21705.0851 0.0000 0.0000 43600.4183 -222284.3176 158.6063 -265884.7359 -222067.4293 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5287 19979.6438 5712.7400 177.5412 -334802.1840 21719.8455 0.0000 0.0000 44912.1914 -222431.6935 163.3782 -267343.8848 -222068.1392 163.3782 -983.0000 -2552.5930 921491.4634 -983.0000 -2552.5930
ENERGY: 248 19035.4926 20164.4295 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1247 -2608.3065 921491.4634 -1359.1247 -2608.3065
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9041 20013.1599 5733.2541 193.8023 -336093.2678 21826.9296 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2178 -222091.3305 159.7157 -3843.4681 -2758.0339 921491.4634 -3843.4681 -2758.0339
ENERGY: 253 19499.8637 19667.1123 5729.5496 195.2411 -334977.1809 21784.0537 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3605 -222082.7206 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0883 19348.2297 5720.5008 195.9622 -333839.8801 21752.6525 0.0000 0.0000 45220.9195 -222528.5272 164.5013 -267749.4467 -222080.4687 164.5013 -2707.1337 -2696.1701 921491.4634 -2707.1337 -2696.1701
ENERGY: 255 20324.2312 19109.4103 5707.6062 196.0620 -333099.9236 21746.1516 0.0000 0.0000 43667.4212 -222349.0411 158.8501 -266016.4623 -222078.3976 158.8501 -2282.5425 -2662.7814 921491.4634 -2282.5425 -2662.7814
ENERGY: 256 20899.4410 18950.9579 5693.4518 195.6570 -332975.5976 21757.6848 0.0000 0.0000 43181.1613 -222297.2438 157.0812 -265478.4051 -222071.2739 157.0812 -2042.2410 -2664.5199 921491.4634 -2042.2410 -2664.5199
ENERGY: 257 20029.5654 18878.1874 5681.1759 194.7976 -333481.0043 21780.2420 0.0000 0.0000 44488.5470 -222428.4891 161.8371 -266917.0360 -222060.1684 161.8371 -2035.5363 -2692.1442 921491.4634 -2035.5363 -2692.1442
ENERGY: 258 19453.5868 18882.0667 5673.2911 193.6684 -334373.1548 21817.5078 0.0000 0.0000 45796.2578 -222556.7762 166.5942 -268353.0340 -222062.0608 166.5942 -2331.2329 -2737.1920 921491.4634 -2331.2329 -2737.1920
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TIMING: 260 CPU: 123.768, 0.47021/step Wall: 123.768, 0.47021/step, 0.0313473 hours remaining, 3224.078125 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 21606.2723 19814.6776 5694.0656 188.7122 -336291.7859 21947.6074 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4324 162.2485 -3214.7560 -2810.4637 921491.4634 -3214.7560 -2810.4637
ENERGY: 263 19781.1229 20140.5621 5703.8103 187.9445 -335614.9713 21924.4740 0.0000 0.0000 45349.7771 -222527.2805 164.9700 -267877.0575 -222051.1548 164.9700 -2647.8114 -2773.3903 921491.4634 -2647.8114 -2773.3903
ENERGY: 264 19385.2261 20436.4304 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4783 -222476.8388 162.7936 -267228.3171 -222069.1983 162.7936 -2191.1926 -2723.5293 921491.4634 -2191.1926 -2723.5293
ENERGY: 265 19946.8416 20681.9923 5713.6241 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6375 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8698 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3798 -222348.1911 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7240 -2664.5955 921491.4634 -2130.7240 -2664.5955
ENERGY: 267 19648.0906 20691.2677 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2169 -222446.1645 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9162 20375.7514 5700.1930 187.9286 -335513.7450 21959.1257 0.0000 0.0000 44823.5376 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1933 19450.9167 5690.3173 187.1618 -336650.6775 22028.8071 0.0000 0.0000 44308.0075 -222365.2738 161.1804 -266673.2813 -222067.0434 161.1804 -3583.3633 -2617.7582 921491.4634 -3583.3633 -2617.7582
ENERGY: 271 22345.5822 19078.8065 5690.0209 186.1610 -336571.7892 22035.2501 0.0000 0.0000 44829.4473 -222406.5211 163.0772 -267235.9684 -222066.8386 163.0772 -3261.2173 -2569.2622 921491.4634 -3261.2173 -2569.2622
ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4614 22015.0580 0.0000 0.0000 45607.7077 -222503.3108 165.9083 -268111.0184 -222081.1570 165.9083 -2551.9682 -2501.8804 921491.4634 -2551.9682 -2501.8804
ENERGY: 273 20123.2137 18932.9081 5697.5118 183.8526 -334925.7012 21985.5296 0.0000 0.0000 45502.7161 -222499.9693 165.5264 -268002.6854 -222069.0457 165.5264 -1837.1974 -2434.6759 921491.4634 -1837.1974 -2434.6759
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ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1281 21971.0410 0.0000 0.0000 44028.5273 -222412.2138 160.1637 -266440.7410 -222072.9392 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3454 21997.2387 0.0000 0.0000 44632.8112 -222481.8215 162.3619 -267114.6327 -222061.0985 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4578 19713.7760 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7059 161.9961 -266995.9598 -222063.4128 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
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TIMING: 280 CPU: 133.168, 0.470012/step Wall: 133.168, 0.470012/step, 0.028723 hours remaining, 3224.078125 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 19396.6309 20966.5621 5721.5031 185.8230 -334658.1147 22176.6863 0.0000 0.0000 43785.6882 -222425.2211 159.2803 -266210.9092 -222054.0580 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1191 20856.7822 5731.9346 184.4714 -334918.1479 22200.2910 0.0000 0.0000 44282.9437 -222485.6057 161.0892 -266768.5494 -222055.7251 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3147 22237.9038 0.0000 0.0000 44116.9903 -222455.2373 160.4855 -266572.2276 -222066.9051 160.4855 -3310.5878 -2790.1553 921491.4634 -3310.5878 -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 ============== 148.525
LDB: Largest compute 200 load 0.518729 is 1.1% of average load 45.574549
LDB: Average compute 0.063838 is 0.1% of average load 45.574549
LDB: TIME 148.527 LOAD: AVG 45.5745 MAX 47.0573 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 148.528 LOAD: AVG 45.5745 MAX 47.0573 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 148.545 LOAD: AVG 45.5745 MAX 46.0773 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 148.545
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.547
Info: Initial time: 4 CPUs 0.470239 s/step 5.44258 days/ns 3224.28 MB memory
TIMING: 300 CPU: 142.572, 0.470227/step Wall: 142.572, 0.470227/step, 0.0261237 hours remaining, 3224.277344 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: 151.765, 0.459647/step Wall: 151.765, 0.459647/step, 0.0229823 hours remaining, 3224.277344 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: 160.959, 0.459685/step Wall: 160.959, 0.459685/step, 0.0204304 hours remaining, 3224.277344 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: 170.144, 0.459243/step Wall: 170.144, 0.459243/step, 0.0178594 hours remaining, 3224.277344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 364 19323.8975 19612.6013 5699.8913 181.0103 -336175.2000 22790.5194 0.0000 0.0000 46034.3489 -222532.9313 167.4603 -268567.2802 -222068.5918 167.4603 -1420.0425 -2476.3756 921491.4634 -1420.0425 -2476.3756
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5804 22794.3775 0.0000 0.0000 43848.2757 -222334.4302 159.5080 -266182.7058 -222041.4012 159.5080 -1819.5856 -2472.4985 921491.4634 -1819.5856 -2472.4985
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2280 22821.5839 0.0000 0.0000 44474.7538 -222423.6620 161.7869 -266898.4158 -222044.3966 161.7869 -2972.9871 -2523.3498 921491.4634 -2972.9871 -2523.3498
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TIMING: 380 CPU: 179.322, 0.458926/step Wall: 179.322, 0.458926/step, 0.0152975 hours remaining, 3224.277344 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 19596.0353 5710.5349 179.0647 -336052.0491 22884.2536 0.0000 0.0000 45539.1831 -222517.5659 165.6590 -268056.7491 -222062.0927 165.6590 -569.2380 -2166.9357 921491.4634 -569.2380 -2166.9357
ENERGY: 385 19327.8182 19356.8911 5707.7751 177.4354 -335210.6404 22871.6146 0.0000 0.0000 45299.7169 -222469.3891 164.7879 -267769.1059 -222051.0994 164.7879 215.3515 -2064.3635 921491.4634 215.3515 -2064.3635
ENERGY: 386 19981.2273 19220.9464 5707.6637 175.9385 -334865.1820 22880.7960 0.0000 0.0000 44519.8584 -222378.7517 161.9510 -266898.6101 -222051.0439 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2858 19202.4844 5710.9354 174.6759 -335109.8727 22905.2746 0.0000 0.0000 44377.1814 -222372.0351 161.4320 -266749.2165 -222053.0051 161.4320 -738.9583 -2019.1688 921491.4634 -738.9583 -2019.1688
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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 20133.3592 5716.9814 176.0456 -336812.3380 23014.0587 0.0000 0.0000 45592.7322 -222486.3495 165.8538 -268079.0817 -222045.7221 165.8538 -1710.2234 -2443.6964 921491.4634 -1710.2234 -2443.6964
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LDB: ============= START OF LOAD BALANCING ============== 194.483
LDB: Largest compute 230 load 0.527234 is 1.2% of average load 45.554351
LDB: Average compute 0.063798 is 0.1% of average load 45.554351
LDB: TIME 194.484 LOAD: AVG 45.5544 MAX 45.9355 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.28 MB
LDB: TIME 194.485 LOAD: AVG 45.5544 MAX 45.9355 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: TIME 194.485 LOAD: AVG 45.5544 MAX 45.9355 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.28 MB
LDB: ============== END OF LOAD BALANCING =============== 194.486
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.487
Info: Benchmark time: 4 CPUs 0.459294 s/step 5.31591 days/ns 3224.28 MB memory
TIMING: 400 CPU: 188.506, 0.459179/step Wall: 188.506, 0.459179/step, 0.012755 hours remaining, 3224.277344 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 402 22444.0480 19835.9107 5715.8942 173.8391 -338107.6291 23109.6380 0.0000 0.0000 44436.8101 -222391.4889 161.6489 -266828.2990 -222049.2225 161.6489 -4939.3796 -2681.7025 921491.4634 -4939.3796 -2681.7025
ENERGY: 403 20784.9697 19778.4827 5715.7218 174.2695 -337239.9788 23077.8404 0.0000 0.0000 45225.5965 -222483.0983 164.5183 -267708.6948 -222046.6853 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 409 20350.1187 19376.4607 5688.4775 191.1593 -336896.6845 23057.9924 0.0000 0.0000 45733.6059 -222498.8702 166.3663 -268232.4761 -222051.6703 166.3663 -2367.4918 -2346.9325 921491.4634 -2367.4918 -2346.9325
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 413 21130.1419 20138.5248 5699.9334 199.7191 -337872.5321 23125.1117 0.0000 0.0000 45113.2145 -222465.8867 164.1095 -267579.1012 -222055.3451 164.1095 -3850.6271 -2398.9549 921491.4634 -3850.6271 -2398.9549
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ENERGY: 415 19745.2667 20572.1258 5708.7452 198.1487 -336456.1976 23071.1993 0.0000 0.0000 44733.2277 -222427.4842 162.7272 -267160.7119 -222049.0344 162.7272 -1174.6453 -2266.5615 921491.4634 -1174.6453 -2266.5615
ENERGY: 416 19942.3168 20661.9896 5710.0857 195.6954 -336157.5866 23063.1716 0.0000 0.0000 44200.2855 -222384.0421 160.7885 -266584.3276 -222052.9643 160.7885 -282.7613 -2224.6897 921491.4634 -282.7613 -2224.6897
ENERGY: 417 20031.3748 20631.3209 5709.0493 192.4696 -336373.1080 23072.1100 0.0000 0.0000 44338.4624 -222398.3209 161.2911 -266736.7833 -222044.6993 161.2911 -112.4552 -2227.1699 921491.4634 -112.4552 -2227.1699
ENERGY: 418 20154.6647 20457.0910 5705.5847 188.6536 -336970.7872 23098.6727 0.0000 0.0000 44915.1427 -222450.9778 163.3889 -267366.1205 -222046.7093 163.3889 -671.8544 -2269.9921 921491.4634 -671.8544 -2269.9921
ENERGY: 419 20790.7630 20185.5525 5700.4810 184.6054 -337717.8762 23139.8025 0.0000 0.0000 45250.3105 -222466.3613 164.6082 -267716.6718 -222049.5950 164.6082 -1783.9419 -2336.6464 921491.4634 -1783.9419 -2336.6464
TIMING: 420 CPU: 197.659, 0.457655/step Wall: 197.659, 0.457655/step, 0.0101701 hours remaining, 3224.277344 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: 428 20140.4228 19760.4172 5710.4628 168.5259 -336199.9858 23087.7679 0.0000 0.0000 44884.2598 -222448.1294 163.2766 -267332.3893 -222058.0547 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 432 21768.3704 20188.6724 5710.3546 168.1086 -338651.2109 23176.0848 0.0000 0.0000 45177.9913 -222461.6287 164.3451 -267639.6201 -222065.9060 164.3451 -3350.2743 -2296.1498 921491.4634 -3350.2743 -2296.1498
ENERGY: 433 21200.9074 20275.9664 5710.3763 168.4633 -338164.0645 23162.2913 0.0000 0.0000 45192.9285 -222453.1313 164.3995 -267646.0599 -222052.5984 164.3995 -3187.3735 -2272.1277 921491.4634 -3187.3735 -2272.1277
ENERGY: 434 20730.3415 20338.1500 5711.6061 169.3247 -337394.2712 23140.7738 0.0000 0.0000 44883.0998 -222420.9754 163.2724 -267304.0752 -222051.1465 163.2724 -2694.3110 -2227.7885 921491.4634 -2694.3110 -2227.7885
ENERGY: 435 20235.2202 20362.4016 5714.0003 170.8455 -336680.6563 23123.4100 0.0000 0.0000 44675.9841 -222398.7946 162.5190 -267074.7787 -222049.5891 162.5190 -2061.3584 -2179.8951 921491.4634 -2061.3584 -2179.8951
ENERGY: 436 19670.9242 20349.9983 5717.2345 173.0864 -336303.8818 23119.9081 0.0000 0.0000 44847.0985 -222425.6317 163.1414 -267272.7302 -222059.6959 163.1414 -1520.6598 -2145.1616 921491.4634 -1520.6598 -2145.1616
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ENERGY: 438 19935.1531 20278.6097 5724.6883 179.3848 -336899.4581 23173.5523 0.0000 0.0000 45148.1324 -222459.9374 164.2365 -267608.0698 -222051.5668 164.2365 -1493.0939 -2145.0880 921491.4634 -1493.0939 -2145.0880
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TIMING: 440 CPU: 206.808, 0.457447/step Wall: 206.808, 0.457447/step, 0.00762411 hours remaining, 3224.277344 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 22071.5681 20036.2373 5729.7526 186.7201 -338123.1809 23276.2490 0.0000 0.0000 44417.5460 -222405.1077 161.5788 -266822.6537 -222059.4771 161.5788 -2408.4609 -2197.9669 921491.4634 -2408.4609 -2197.9669
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ENERGY: 442 21853.6118 19664.5351 5729.4854 192.9411 -338090.1537 23327.1573 0.0000 0.0000 44880.6320 -222441.7911 163.2634 -267322.4231 -222049.7753 163.2634 -2710.5575 -2229.0694 921491.4634 -2710.5575 -2229.0694
ENERGY: 443 21064.3318 19487.0724 5727.6164 194.9329 -337369.3155 23320.0163 0.0000 0.0000 45118.1105 -222457.2352 164.1273 -267575.3456 -222048.5993 164.1273 -2448.1648 -2220.3529 921491.4634 -2448.1648 -2220.3529
ENERGY: 444 20449.3366 19357.2691 5725.4095 195.8735 -336464.1931 23301.5281 0.0000 0.0000 44987.7173 -222447.0589 163.6530 -267434.7763 -222057.9799 163.6530 -2090.2100 -2206.4398 921491.4634 -2090.2100 -2206.4398
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ENERGY: 446 19947.6804 19324.9006 5722.5429 194.3235 -335494.5715 23276.0457 0.0000 0.0000 44620.2942 -222408.7841 162.3164 -267029.0783 -222046.1622 162.3164 -1800.7517 -2216.7292 921491.4634 -1800.7517 -2216.7292
ENERGY: 447 19914.2847 19416.0210 5722.2107 191.8641 -335769.4404 23282.7464 0.0000 0.0000 44816.5083 -222425.8052 163.0301 -267242.3135 -222046.8344 163.0301 -1993.3110 -2253.0601 921491.4634 -1993.3110 -2253.0601
ENERGY: 448 20187.5921 19583.6800 5722.5764 188.5554 -336503.1798 23303.8910 0.0000 0.0000 45065.6668 -222451.2182 163.9365 -267516.8849 -222059.3477 163.9365 -2372.1874 -2303.7896 921491.4634 -2372.1874 -2303.7896
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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 20108.1298 5724.4776 181.0898 -338419.3245 23364.6248 0.0000 0.0000 44854.3091 -222432.2082 163.1676 -267286.5174 -222048.7856 163.1676 -3116.6751 -2394.3893 921491.4634 -3116.6751 -2394.3893
ENERGY: 451 22355.5899 20357.7253 5724.7144 177.6517 -338952.0905 23381.8012 0.0000 0.0000 44542.6983 -222411.9096 162.0341 -266954.6079 -222048.8242 162.0341 -3074.2529 -2405.7795 921491.4634 -3074.2529 -2405.7795
ENERGY: 452 22246.2013 20536.0133 5723.8953 174.8859 -338927.1543 23378.0949 0.0000 0.0000 44452.9193 -222415.1443 161.7075 -266868.0636 -222059.6374 161.7075 -2659.9605 -2384.7567 921491.4634 -2659.9605 -2384.7567
ENERGY: 453 21399.8727 20641.1310 5722.2878 173.1350 -338392.7941 23354.5913 0.0000 0.0000 44683.7029 -222418.0733 162.5470 -267101.7763 -222043.5375 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3383 20654.1374 5720.2217 172.3637 -337567.1423 23320.6907 0.0000 0.0000 45008.1461 -222443.2445 163.7273 -267451.3906 -222041.8395 163.7273 -1453.4581 -2293.1450 921491.4634 -1453.4581 -2293.1450
ENERGY: 455 19486.7907 20584.7121 5718.4844 172.5169 -336790.6463 23290.4028 0.0000 0.0000 45086.5786 -222451.1607 164.0126 -267537.7393 -222040.8573 164.0126 -1151.8826 -2255.8572 921491.4634 -1151.8826 -2255.8572
ENERGY: 456 19493.3721 20440.6801 5717.7556 173.4248 -336350.1083 23274.9636 0.0000 0.0000 44811.4726 -222438.4395 163.0118 -267249.9121 -222055.3486 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4928 20251.9435 5718.5580 174.9241 -336395.8172 23277.8279 0.0000 0.0000 44521.8706 -222403.2002 161.9583 -266925.0709 -222049.4133 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8435 20019.2723 5720.7061 176.6081 -336835.0967 23294.7176 0.0000 0.0000 44632.7891 -222405.1599 162.3618 -267037.9490 -222051.2822 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
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TIMING: 460 CPU: 215.952, 0.457203/step Wall: 215.952, 0.457203/step, 0.00508003 hours remaining, 3224.277344 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: 462 22264.2256 19487.8108 5736.4823 180.9531 -337988.7181 23351.1087 0.0000 0.0000 44559.9301 -222408.2075 162.0968 -266968.1377 -222056.7215 162.0968 -2954.8203 -2323.4252 921491.4634 -2954.8203 -2323.4252
ENERGY: 463 21821.1794 19513.9015 5738.9361 181.1160 -337284.1041 23326.9478 0.0000 0.0000 44313.4579 -222388.5653 161.2002 -266702.0233 -222054.6243 161.2002 -2012.4428 -2264.0780 921491.4634 -2012.4428 -2264.0780
ENERGY: 464 20535.2464 19559.9272 5739.2518 181.0096 -336389.3851 23291.1942 0.0000 0.0000 44654.0275 -222428.7284 162.4391 -267082.7559 -222058.5729 162.4391 -1050.9231 -2205.5270 921491.4634 -1050.9231 -2205.5270
ENERGY: 465 19322.7829 19631.8854 5737.2899 180.7155 -335701.1545 23259.7391 0.0000 0.0000 45094.5697 -222474.1719 164.0417 -267568.7416 -222052.9388 164.0417 -512.3350 -2174.4010 921491.4634 -512.3350 -2174.4010
ENERGY: 466 19088.4511 19708.3582 5733.2107 180.2808 -335443.7735 23245.0603 0.0000 0.0000 45020.7918 -222467.6206 163.7733 -267488.4124 -222052.9785 163.7733 -630.3316 -2182.6712 921491.4634 -630.3316 -2182.6712
ENERGY: 467 19841.8070 19783.1742 5727.6704 179.7757 -335721.0959 23249.4528 0.0000 0.0000 44523.6675 -222415.5482 161.9649 -266939.2157 -222054.3495 161.9649 -1393.6030 -2232.5925 921491.4634 -1393.6030 -2232.5925
ENERGY: 468 20761.8482 19845.4942 5721.5089 179.2779 -336451.5671 23265.8124 0.0000 0.0000 44291.6593 -222385.9661 161.1209 -266677.6254 -222056.3589 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3016 19910.2021 5715.6824 178.8504 -337458.3205 23284.3960 0.0000 0.0000 44720.3210 -222412.5670 162.6802 -267132.8881 -222046.0748 162.6802 -3596.7405 -2405.7974 921491.4634 -3596.7405 -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 21411.1730 19972.8933 5710.9491 178.5947 -338383.2511 23297.0671 0.0000 0.0000 45346.4583 -222466.1154 164.9580 -267812.5738 -222047.6087 164.9580 -4259.6996 -2477.6833 921491.4634 -4259.6996 -2477.6833
ENERGY: 471 21732.8677 20054.6834 5707.9626 178.5890 -338913.2455 23297.5084 0.0000 0.0000 45471.3375 -222470.2969 165.4122 -267941.6344 -222047.5357 165.4122 -4290.5685 -2504.3177 921491.4634 -4290.5685 -2504.3177
ENERGY: 472 22081.2361 20161.5550 5707.0091 178.9047 -338870.6772 23279.4491 0.0000 0.0000 45028.5303 -222433.9929 163.8014 -267462.5232 -222059.5057 163.8014 -3659.7363 -2479.9185 921491.4634 -3659.7363 -2479.9185
ENERGY: 473 21866.1364 20289.3425 5707.9843 179.6165 -338307.7195 23240.7363 0.0000 0.0000 44634.5177 -222389.3858 162.3681 -267023.9036 -222043.8539 162.3681 -2556.3619 -2408.1658 921491.4634 -2556.3619 -2408.1658
ENERGY: 474 20842.9706 20372.0984 5710.2160 180.7466 -337438.4556 23189.2348 0.0000 0.0000 44733.2309 -222409.9581 162.7272 -267143.1890 -222041.2619 162.7272 -1295.5527 -2316.2729 921491.4634 -1295.5527 -2316.2729
ENERGY: 475 19674.2081 20371.7672 5712.9876 182.2512 -336604.2315 23142.3818 0.0000 0.0000 45070.2141 -222450.4216 163.9531 -267520.6356 -222039.4529 163.9531 -344.6451 -2232.2126 921491.4634 -344.6451 -2232.2126
ENERGY: 476 19235.7861 20282.0272 5715.7683 184.0125 -336100.0906 23115.8468 0.0000 0.0000 45106.0635 -222460.5863 164.0835 -267566.6497 -222053.6139 164.0835 -92.4050 -2183.0653 921491.4634 -92.4050 -2183.0653
ENERGY: 477 19704.7249 20145.9810 5718.4976 185.9230 -336101.8791 23114.2941 0.0000 0.0000 44812.3208 -222420.1376 163.0149 -267232.4584 -222044.8413 163.0149 -667.4945 -2171.8229 921491.4634 -667.4945 -2171.8229
ENERGY: 478 20493.4776 19974.7635 5721.0254 187.7262 -336537.4036 23131.2463 0.0000 0.0000 44627.0330 -222402.1316 162.3409 -267029.1646 -222047.4108 162.3409 -1807.1602 -2198.7956 921491.4634 -1807.1602 -2198.7956
ENERGY: 479 21125.3058 19793.3953 5723.3295 189.2099 -337215.5838 23156.6775 0.0000 0.0000 44802.1574 -222425.5084 162.9779 -267227.6658 -222050.5461 162.9779 -3089.8514 -2246.7918 921491.4634 -3089.8514 -2246.7918
TIMING: 480 CPU: 225.099, 0.457318/step Wall: 225.098, 0.457318/step, 0.00254066 hours remaining, 3224.277344 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 21624.0326 19623.1962 5725.3111 190.1900 -337854.6783 23181.5122 0.0000 0.0000 45051.6811 -222458.7550 163.8856 -267510.4361 -222064.6209 163.8856 -4077.7323 -2291.4890 921491.4634 -4077.7323 -2291.4890
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ENERGY: 482 22186.3468 19466.6794 5728.4963 190.3598 -338044.5417 23192.7480 0.0000 0.0000 44865.8515 -222414.0600 163.2096 -267279.9115 -222051.4112 163.2096 -4059.3097 -2278.0613 921491.4634 -4059.3097 -2278.0613
ENERGY: 483 21553.1415 19511.5745 5729.5660 189.3226 -337426.2185 23165.8746 0.0000 0.0000 44861.8963 -222414.8429 163.1952 -267276.7392 -222048.7672 163.1952 -2964.1723 -2216.4114 921491.4634 -2964.1723 -2216.4114
ENERGY: 484 20460.8927 19631.1940 5730.2465 187.5455 -336590.8881 23126.1358 0.0000 0.0000 45003.6025 -222451.2712 163.7107 -267454.8737 -222059.8737 163.7107 -1565.2424 -2143.1846 921491.4634 -1565.2424 -2143.1846
ENERGY: 485 19688.7720 19800.2993 5730.5256 185.2458 -335902.5864 23092.8477 0.0000 0.0000 44955.5719 -222449.3241 163.5360 -267404.8960 -222045.9601 163.5360 -422.1567 -2086.8732 921491.4634 -422.1567 -2086.8732
ENERGY: 486 19602.5425 19954.8177 5729.7197 182.4662 -335612.3565 23080.3814 0.0000 0.0000 44645.9112 -222416.5177 162.4096 -267062.4289 -222044.6755 162.4096 87.3184 -2070.0979 921491.4634 87.3184 -2070.0979
ENERGY: 487 19881.0924 20072.0214 5727.4347 179.4360 -335846.4480 23091.0551 0.0000 0.0000 44503.3490 -222392.0594 161.8910 -266895.4084 -222045.2402 161.8910 -192.2342 -2106.8837 921491.4634 -192.2342 -2106.8837
ENERGY: 488 20125.2097 20156.1363 5723.5441 176.4338 -336552.5456 23118.8624 0.0000 0.0000 44827.0554 -222425.3041 163.0685 -267252.3595 -222057.1938 163.0685 -1145.7529 -2194.6678 921491.4634 -1145.7529 -2194.6678
ENERGY: 489 20526.8871 20236.4610 5718.5748 173.8639 -337540.4661 23156.7318 0.0000 0.0000 45266.1002 -222461.8473 164.6656 -267727.9475 -222045.6085 164.6656 -2511.2400 -2316.7064 921491.4634 -2511.2400 -2316.7064
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7489 20292.9023 5712.8912 171.8438 -338458.1369 23196.4885 0.0000 0.0000 45213.5628 -222459.6993 164.4745 -267673.2621 -222048.2207 164.4745 -3823.4035 -2437.4152 921491.4634 -3823.4035 -2437.4152
ENERGY: 491 22430.4641 20312.1362 5707.3795 170.5404 -338984.5803 23226.0945 0.0000 0.0000 44733.0088 -222404.9568 162.7264 -267137.9657 -222049.4638 162.7264 -4629.6932 -2524.6212 921491.4634 -4629.6932 -2524.6212
ENERGY: 492 22612.9549 20289.6812 5702.9944 170.0208 -338937.5825 23232.7214 0.0000 0.0000 44542.1949 -222387.0149 162.0323 -266929.2098 -222060.3858 162.0323 -4606.8523 -2557.4727 921491.4634 -4606.8523 -2557.4727
ENERGY: 493 21558.2191 20260.7375 5700.7779 170.3200 -338358.0642 23214.0545 0.0000 0.0000 45033.8227 -222420.1324 163.8207 -267453.9551 -222046.5899 163.8207 -3796.3819 -2540.0993 921491.4634 -3796.3819 -2540.0993
ENERGY: 494 20068.3368 20225.0262 5700.9806 171.2193 -337454.3842 23183.0804 0.0000 0.0000 45622.2473 -222483.4938 165.9612 -268105.7410 -222044.0866 165.9612 -2500.8991 -2482.1065 921491.4634 -2500.8991 -2482.1065
ENERGY: 495 19383.2462 20186.8301 5703.5926 172.5416 -336566.9892 23159.4634 0.0000 0.0000 45484.1229 -222477.1924 165.4587 -267961.3153 -222041.5562 165.4587 -1249.6835 -2407.3052 921491.4634 -1249.6835 -2407.3052
ENERGY: 496 19722.4831 20130.6472 5708.0350 174.0933 -335998.7156 23154.2645 0.0000 0.0000 44699.5269 -222409.6655 162.6046 -267109.1924 -222049.0666 162.6046 -478.8993 -2343.4746 921491.4634 -478.8993 -2343.4746
ENERGY: 497 20212.6666 20059.9175 5713.4613 175.7242 -335952.5042 23166.3555 0.0000 0.0000 44261.0286 -222363.3506 161.0095 -266624.3791 -222042.7496 161.0095 -421.0226 -2316.7924 921491.4634 -421.0226 -2316.7924
ENERGY: 498 20182.0164 19957.1214 5718.5597 177.2604 -336366.4932 23189.3595 0.0000 0.0000 44728.2530 -222413.9229 162.7091 -267142.1759 -222044.5215 162.7091 -993.4673 -2331.6468 921491.4634 -993.4673 -2331.6468
ENERGY: 499 20158.0678 19847.7307 5722.4090 178.6361 -337058.4823 23219.2414 0.0000 0.0000 45439.2640 -222493.1334 165.2956 -267932.3974 -222047.2058 165.2956 -2020.8681 -2376.3386 921491.4634 -2020.8681 -2376.3386
Info: Benchmark time: 4 CPUs 0.456596 s/step 5.28467 days/ns 3224.28 MB memory
TIMING: 500 CPU: 234.166, 0.453364/step Wall: 234.166, 0.453364/step, 0 hours remaining, 3224.277344 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 20974.8936 19756.6582 5724.4523 179.8271 -337741.4195 23251.1018 0.0000 0.0000 45359.0774 -222495.4090 165.0039 -267854.4864 -222061.0908 165.0039 -3197.5164 -2425.4138 921491.4634 -3197.5164 -2425.4138
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, 3229.727 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.727 MB of memory in use
====================================================
WallClock: 241.032166 CPUTime: 241.032166 Memory: 3229.726562 MB
[Partition 0][Node 0] End of program
Application 109990140 resources: utime ~946s, stime ~20s, Rss ~127132, inblocks ~67010, outblocks ~72240
Displaying status file:
verified
WALL=241.032166
CPU=241.032166
MEM=3229.726562
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins1975504686833890005.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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