Skipping 710 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 ============== 54.6979
LDB: Largest compute 200 load 0.429590 is 1.2% of average load 36.786851
LDB: Average compute 0.051536 is 0.1% of average load 36.786851
LDB: Partitioning computes with target load 3.678685
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055408
LDB: ============== END OF LOAD BALANCING =============== 54.7
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.7009
Info: Initial time: 4 CPUs 0.474402 s/step 5.49077 days/ns 3221.58 MB memory
TIMING: 100 CPU: 48.4113, 0.473321/step Wall: 48.4113, 0.473321/step, 0.0525912 hours remaining, 3221.582031 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 ============== 64.1506
LDB: ============== END OF LOAD BALANCING =============== 64.1507
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1511
TIMING: 120 CPU: 57.8617, 0.472521/step Wall: 57.8617, 0.472521/step, 0.0498772 hours remaining, 3221.781250 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: 127 20034.1247 19457.5518 5728.8730 183.8512 -331985.2680 21088.4979 0.0000 0.0000 43047.2720 -222445.0974 156.5941 -265492.3694 -222223.2519 156.5941 -2122.5053 -2533.3234 921491.4634 -2122.5053 -2533.3234
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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 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5365 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9957 19804.6628 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5102 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7865 -2872.9597 921491.4634 -5164.7865 -2872.9597
ENERGY: 132 21696.5184 20951.9797 5753.4447 189.2233 -334841.7368 21081.3851 0.0000 0.0000 42732.1266 -222437.0591 155.4477 -265169.1856 -222222.8147 155.4477 -4015.6411 -2856.5554 921491.4634 -4015.6411 -2856.5554
ENERGY: 133 21569.7011 21939.4306 5759.4053 191.1377 -334187.7138 21049.8505 0.0000 0.0000 41346.5715 -222331.6172 150.4075 -263678.1887 -222209.0243 150.4075 -2436.6193 -2806.2333 921491.4634 -2436.6193 -2806.2333
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ENERGY: 138 21874.8525 19195.4802 5730.8549 192.8766 -333203.4343 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
ENERGY: 139 22116.0296 18330.1125 5724.2506 192.4679 -333575.3362 21115.6333 0.0000 0.0000 43705.6789 -222391.1635 158.9892 -266096.8424 -222217.3488 158.9892 -4443.4108 -3015.1528 921491.4634 -4443.4108 -3015.1528
TIMING: 140 CPU: 67.3045, 0.47214/step Wall: 67.3045, 0.47214/step, 0.047214 hours remaining, 3221.972656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 140 20992.5977 17997.1578 5722.1741 192.2140 -333726.9442 21127.4061 0.0000 0.0000 45144.2513 -222551.1433 164.2224 -267695.3946 -222224.0361 164.2224 -5617.7628 -3080.3638 921491.4634 -5617.7628 -3080.3638
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 160 CPU: 76.7374, 0.471648/step Wall: 76.7374, 0.471648/step, 0.0445445 hours remaining, 3222.195312 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 162 22512.8126 18508.1492 5697.2826 183.0024 -333202.6497 20887.8857 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1555 -2859.8870 921491.4634 -5004.1555 -2859.8870
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ENERGY: 164 19652.8064 18261.0400 5702.5306 194.0206 -331567.4470 20861.9109 0.0000 0.0000 44426.5345 -222468.6040 161.6115 -266895.1385 -222170.9035 161.6115 -3836.1732 -2870.4449 921491.4634 -3836.1732 -2870.4449
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ENERGY: 167 21026.8306 19216.2868 5755.9248 205.8794 -332212.1861 20917.6389 0.0000 0.0000 42775.8061 -222313.8197 155.6066 -265089.6258 -222150.5300 155.6066 -1671.2498 -2889.5868 921491.4634 -1671.2498 -2889.5868
ENERGY: 168 21619.4180 19999.6890 5775.3367 206.4584 -333382.4927 20963.4338 0.0000 0.0000 42492.3350 -222325.8218 154.5754 -264818.1568 -222149.7709 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
ENERGY: 169 20648.4665 20870.4070 5789.9166 204.9287 -334596.5072 20994.5723 0.0000 0.0000 43600.1910 -222488.0253 158.6055 -266088.2163 -222133.5317 158.6055 -2095.8776 -2988.7947 921491.4634 -2095.8776 -2988.7947
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2130 20943.2095 0.0000 0.0000 44722.5119 -222468.0281 162.6882 -267190.5400 -222127.3373 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2415 20981.6518 0.0000 0.0000 42714.2624 -222252.6199 155.3827 -264966.8823 -222125.5140 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2979 21015.2133 0.0000 0.0000 43101.1545 -222314.9828 156.7902 -265416.1373 -222126.1325 156.7902 -2936.2256 -2665.7683 921491.4634 -2936.2256 -2665.7683
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TIMING: 180 CPU: 86.1594, 0.471096/step Wall: 86.1594, 0.471096/step, 0.0418752 hours remaining, 3222.195312 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: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0937 21043.7459 0.0000 0.0000 44391.5886 -222435.3693 161.4844 -266826.9579 -222129.2890 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2966 19471.4303 5678.7398 184.6336 -333156.1127 21076.9264 0.0000 0.0000 42449.0055 -222222.0803 154.4178 -264671.0859 -222130.9082 154.4178 -3641.8536 -2802.0867 921491.4634 -3641.8536 -2802.0867
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 197 21700.3669 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3654 -222242.4590 154.8738 -264816.8244 -222086.7182 154.8738 -3040.7436 -2596.5494 921491.4634 -3040.7436 -2596.5494
ENERGY: 198 21224.0060 18800.3005 5711.3574 186.3640 -333385.4999 21161.1534 0.0000 0.0000 43911.2863 -222391.0323 159.7372 -266302.3186 -222090.4394 159.7372 -4381.6808 -2646.7679 921491.4634 -4381.6808 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.87
LDB: Largest compute 200 load 0.424903 is 1.2% of average load 36.608540
LDB: Average compute 0.051282 is 0.1% of average load 36.608540
LDB: TIME 101.872 LOAD: AVG 36.6085 MAX 37.7184 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.57 MB
LDB: TIME 101.874 LOAD: AVG 36.6085 MAX 37.5184 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.57 MB
LDB: ============== END OF LOAD BALANCING =============== 101.876
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.879
Info: Initial time: 4 CPUs 0.471678 s/step 5.45924 days/ns 3223.7 MB memory
TIMING: 200 CPU: 95.5889, 0.471477/step Wall: 95.5889, 0.471477/step, 0.0392898 hours remaining, 3223.699219 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 21073.6838 18595.6349 5711.8747 190.0258 -334670.2813 21209.9248 0.0000 0.0000 45319.1600 -222569.9773 164.8586 -267889.1373 -222114.5246 164.8586 -5241.8526 -2703.6813 921491.4634 -5241.8526 -2703.6813
ENERGY: 201 23380.1031 18674.3333 5716.2802 191.4189 -334751.7133 21239.1341 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 -334305.3008 21243.2752 0.0000 0.0000 42432.5588 -222241.0648 154.3580 -264673.6236 -222096.8292 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8944 19130.0390 5729.2400 192.0764 -333501.9374 21215.8254 0.0000 0.0000 44059.6986 -222431.1636 160.2771 -266490.8622 -222093.6428 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2198 21188.8403 0.0000 0.0000 45629.4719 -222628.9810 165.9875 -268258.4528 -222116.7002 165.9875 452.9934 -2462.2929 921491.4634 452.9934 -2462.2929
ENERGY: 205 18189.0790 19868.9415 5735.7153 189.6741 -332398.2550 21197.9186 0.0000 0.0000 44690.7148 -222526.2117 162.5725 -267216.9265 -222099.8061 162.5725 731.8536 -2447.6353 921491.4634 731.8536 -2447.6353
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ENERGY: 207 21693.8031 20338.2891 5726.5434 185.3060 -333603.9791 21289.9002 0.0000 0.0000 42143.6913 -222226.4459 153.3072 -264370.1373 -222103.0932 153.3072 -1896.3477 -2585.9682 921491.4634 -1896.3477 -2585.9682
ENERGY: 208 20293.2702 20371.8904 5718.1572 182.8654 -334789.2380 21322.2411 0.0000 0.0000 44428.6270 -222472.1868 161.6191 -266900.8138 -222122.6316 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8172 20325.0059 5710.3389 180.5135 -335910.2417 21349.5045 0.0000 0.0000 46273.6800 -222642.3817 168.3309 -268916.0617 -222106.7902 168.3309 -5197.7275 -2836.6306 921491.4634 -5197.7275 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1736 20194.2569 5705.3139 178.4614 -336615.7772 21385.1097 0.0000 0.0000 45251.4333 -222516.0284 164.6123 -267767.4617 -222108.2018 164.6123 -6091.3664 -2896.2627 921491.4634 -6091.3664 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8931 21415.1478 0.0000 0.0000 43031.7284 -222254.1130 156.5376 -265285.8415 -222106.8543 156.5376 -5900.2979 -2885.1010 921491.4634 -5900.2979 -2885.1010
ENERGY: 212 23739.2709 19730.8222 5710.0295 176.0352 -336013.6229 21412.5984 0.0000 0.0000 42995.1639 -222249.7028 156.4046 -265244.8666 -222104.2320 156.4046 -4424.1002 -2820.3210 921491.4634 -4424.1002 -2820.3210
ENERGY: 213 20150.2159 19524.5248 5720.1722 175.9508 -334874.6444 21380.5553 0.0000 0.0000 45418.7806 -222504.4448 165.2210 -267923.2255 -222097.3836 165.2210 -2174.3116 -2725.0840 921491.4634 -2174.3116 -2725.0840
ENERGY: 214 17315.5527 19421.7448 5733.3059 176.6827 -333645.3936 21358.4486 0.0000 0.0000 46958.4702 -222681.1886 170.8220 -269639.6589 -222093.7408 170.8220 -143.6683 -2626.0578 921491.4634 -143.6683 -2626.0578
ENERGY: 215 18210.5054 19441.9743 5746.5772 178.1492 -332787.3322 21379.5597 0.0000 0.0000 45302.6745 -222527.8918 164.7987 -267830.5663 -222091.0448 164.7987 784.0017 -2554.0367 921491.4634 784.0017 -2554.0367
ENERGY: 216 20973.4716 19522.5061 5756.9571 180.1770 -332560.1060 21436.4837 0.0000 0.0000 42442.1787 -222248.3318 154.3930 -264690.5105 -222073.6156 154.3930 420.9903 -2541.5428 921491.4634 420.9903 -2541.5428
ENERGY: 217 21778.3866 19581.4819 5762.2416 182.5517 -333010.6757 21497.2707 0.0000 0.0000 41983.6750 -222225.0683 152.7251 -264208.7433 -222064.4465 152.7251 -882.1698 -2598.7243 921491.4634 -882.1698 -2598.7243
ENERGY: 218 20165.9157 19540.0890 5761.2415 184.9927 -333856.1147 21546.6562 0.0000 0.0000 44178.6836 -222478.5361 160.7099 -266657.2197 -222068.8155 160.7099 -2628.0652 -2703.9746 921491.4634 -2628.0652 -2703.9746
ENERGY: 219 19429.8641 19413.3931 5754.3577 187.2447 -334778.0710 21596.8810 0.0000 0.0000 45751.9297 -222644.4007 166.4329 -268396.3304 -222073.1720 166.4329 -4457.7333 -2810.5236 921491.4634 -4457.7333 -2810.5236
TIMING: 220 CPU: 105.028, 0.471934/step Wall: 105.028, 0.471934/step, 0.036706 hours remaining, 3223.699219 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: 220 21580.9146 19260.1135 5743.1672 189.1021 -335473.8434 21655.3185 0.0000 0.0000 44539.5738 -222505.6537 162.0227 -267045.2275 -222092.6291 162.0227 -5898.3513 -2876.6577 921491.4634 -5898.3513 -2876.6577
ENERGY: 221 24234.7392 19146.8278 5730.1601 190.4777 -335718.7277 21699.4245 0.0000 0.0000 42467.0189 -222250.0795 154.4833 -264717.0984 -222077.7837 154.4833 -6342.7098 -2884.3552 921491.4634 -6342.7098 -2884.3552
ENERGY: 222 23735.1223 19085.7307 5717.7679 191.2893 -335388.9916 21700.3078 0.0000 0.0000 42702.0390 -222256.7345 155.3383 -264958.7735 -222075.6640 155.3383 -5368.7279 -2838.7016 921491.4634 -5368.7279 -2838.7016
ENERGY: 223 20286.4335 19110.8426 5708.3528 191.5579 -334633.3914 21665.5243 0.0000 0.0000 45168.7533 -222501.9271 164.3115 -267670.6804 -222072.2459 164.3115 -3322.8075 -2753.9474 921491.4634 -3322.8075 -2753.9474
ENERGY: 224 17721.9816 19276.3017 5703.4615 191.3517 -333831.1559 21637.4894 0.0000 0.0000 46650.8781 -222649.6919 169.7031 -269300.5699 -222098.2848 169.7031 -1151.0967 -2650.6854 921491.4634 -1151.0967 -2650.6854
ENERGY: 225 18451.5607 19639.7349 5703.5482 190.8347 -333424.4648 21647.4589 0.0000 0.0000 45301.5804 -222489.7471 164.7947 -267791.3275 -222079.9382 164.7947 226.2575 -2563.9719 921491.4634 226.2575 -2563.9719
ENERGY: 226 20569.7730 20147.6376 5707.2430 190.0457 -333606.5696 21686.9382 0.0000 0.0000 43034.1676 -222270.7645 156.5465 -265304.9321 -222078.6806 156.5465 530.9034 -2526.3323 921491.4634 530.9034 -2526.3323
ENERGY: 227 21011.1675 20670.4534 5712.3895 189.0769 -334317.7223 21728.2285 0.0000 0.0000 42721.7943 -222284.6121 155.4101 -265006.4065 -222080.2100 155.4101 -104.6488 -2553.6074 921491.4634 -104.6488 -2553.6074
ENERGY: 228 19866.2928 21035.8346 5716.6482 188.0081 -335312.4270 21761.2925 0.0000 0.0000 44242.5384 -222501.8125 160.9422 -266744.3509 -222102.7894 160.9422 -1440.0182 -2625.9673 921491.4634 -1440.0182 -2625.9673
ENERGY: 229 19874.0814 21137.5589 5718.5477 187.0043 -336264.4472 21796.8121 0.0000 0.0000 44976.5835 -222573.8593 163.6124 -267550.4427 -222086.0491 163.6124 -3234.4609 -2710.7215 921491.4634 -3234.4609 -2710.7215
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 230 21999.2458 20926.2539 5717.1889 185.9786 -336838.6569 21834.6451 0.0000 0.0000 43751.0550 -222424.2895 159.1543 -266175.3446 -222088.6911 159.1543 -4902.3782 -2766.0558 921491.4634 -4902.3782 -2766.0558
ENERGY: 231 23806.6619 20470.3274 5713.0793 184.9073 -336794.0756 21849.7235 0.0000 0.0000 42506.4014 -222262.9749 154.6266 -264769.3763 -222089.4824 154.6266 -5730.6844 -2773.7616 921491.4634 -5730.6844 -2773.7616
ENERGY: 232 22812.6531 19886.6602 5707.7133 183.7520 -336072.1017 21820.0137 0.0000 0.0000 43315.5693 -222345.7401 157.5701 -265661.3095 -222098.2754 157.5701 -5301.5937 -2731.4986 921491.4634 -5301.5937 -2731.4986
ENERGY: 233 20035.6403 19318.2043 5703.4910 182.6157 -334889.2831 21760.7377 0.0000 0.0000 45350.0988 -222538.4953 164.9712 -267888.5941 -222089.6822 164.9712 -3899.2116 -2646.7386 921491.4634 -3899.2116 -2646.7386
ENERGY: 234 18553.6064 18856.0076 5702.3325 181.3395 -333642.4872 21712.9299 0.0000 0.0000 46049.0873 -222587.1839 167.5139 -268636.2712 -222086.3330 167.5139 -2187.7191 -2534.9736 921491.4634 -2187.7191 -2534.9736
ENERGY: 235 19419.0963 18603.4161 5705.8180 179.9133 -332789.1749 21702.6097 0.0000 0.0000 44750.4957 -222427.8257 162.7900 -267178.3214 -222083.1204 162.7900 -820.1734 -2429.4348 921491.4634 -820.1734 -2429.4348
ENERGY: 236 20566.0776 18629.1001 5714.2865 178.3391 -332585.8848 21721.5013 0.0000 0.0000 43477.4013 -222299.1789 158.1588 -265776.5802 -222073.0121 158.1588 -108.6480 -2371.7043 921491.4634 -108.6480 -2371.7043
ENERGY: 237 20196.0056 18940.2030 5726.8243 176.7459 -333068.3187 21749.0157 0.0000 0.0000 43898.3780 -222381.1461 159.6902 -266279.5241 -222063.3607 159.6902 -172.1586 -2373.2011 921491.4634 -172.1586 -2373.2011
ENERGY: 238 19419.4413 19404.0883 5740.6977 175.0128 -333964.3154 21778.9044 0.0000 0.0000 44901.2437 -222544.9272 163.3384 -267446.1709 -222065.9779 163.3384 -987.6013 -2425.5309 921491.4634 -987.6013 -2425.5309
ENERGY: 239 20428.8617 19846.5439 5752.8836 173.1946 -334966.8380 21816.7510 0.0000 0.0000 44416.4634 -222532.1399 161.5749 -266948.6032 -222068.9827 161.5749 -2385.1782 -2499.0796 921491.4634 -2385.1782 -2499.0796
TIMING: 240 CPU: 114.466, 0.471939/step Wall: 114.466, 0.471939/step, 0.0340845 hours remaining, 3223.699219 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: 240 22861.0422 20119.9134 5760.6910 171.4213 -335766.3629 21854.4254 0.0000 0.0000 42641.4776 -222357.3921 155.1180 -264998.8697 -222074.0954 155.1180 -3844.9087 -2568.3896 921491.4634 -3844.9087 -2568.3896
ENERGY: 241 23920.0054 20195.4872 5762.7124 169.9828 -336129.3255 21865.1033 0.0000 0.0000 41957.8936 -222258.1408 152.6313 -264216.0344 -222063.9160 152.6313 -4724.4493 -2616.3453 921491.4634 -4724.4493 -2616.3453
ENERGY: 242 22110.7716 20111.8208 5758.5348 169.0441 -335904.8198 21831.0568 0.0000 0.0000 43526.8720 -222396.7197 158.3388 -265923.5917 -222063.5737 158.3388 -4623.1690 -2633.0913 921491.4634 -4623.1690 -2633.0913
ENERGY: 243 19462.3619 19969.6445 5749.3614 168.8705 -335233.7070 21770.4749 0.0000 0.0000 45537.0690 -222575.9247 165.6513 -268112.9937 -222061.6675 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2463 19849.3935 5737.4544 169.6534 -334482.6011 21720.5677 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2858 -222078.7772 165.9864 -2667.7297 -2573.2149 921491.4634 -2667.7297 -2573.2149
ENERGY: 245 20148.2367 19811.7600 5725.7784 171.4559 -334087.5948 21701.2471 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1166 -222068.6367 160.6730 -1771.6899 -2533.5454 921491.4634 -1771.6899 -2533.5454
ENERGY: 246 20878.5480 19853.7026 5716.8932 174.1558 -334213.1207 21705.0851 0.0000 0.0000 43600.4182 -222284.3179 158.6063 -265884.7361 -222067.4297 158.6063 -1173.7928 -2523.3912 921491.4634 -1173.7928 -2523.3912
ENERGY: 247 19868.5286 19979.6441 5712.7400 177.5412 -334802.1845 21719.8455 0.0000 0.0000 44912.1912 -222431.6938 163.3782 -267343.8850 -222068.1395 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4925 20164.4297 5713.8450 181.3144 -335623.1357 21746.4311 0.0000 0.0000 46185.9363 -222595.6866 168.0117 -268781.6229 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
ENERGY: 249 20484.3307 20353.6194 5719.1623 185.0800 -336433.0071 21788.9034 0.0000 0.0000 45370.8153 -222531.0960 165.0466 -267901.9112 -222082.9712 165.0466 -2308.0287 -2671.2386 921491.4634 -2308.0287 -2671.2386
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 250 23155.2059 20422.5257 5726.1009 188.5682 -336907.4413 21832.9290 0.0000 0.0000 43252.1659 -222329.9458 157.3395 -265582.1117 -222084.2879 157.3395 -3365.2097 -2722.3880 921491.4634 -3365.2097 -2722.3880
ENERGY: 251 24002.1400 20302.5996 5731.6573 191.5295 -336816.8452 21849.8674 0.0000 0.0000 42475.2393 -222263.8121 154.5132 -264739.0514 -222084.8990 154.5132 -3958.0341 -2753.0724 921491.4634 -3958.0341 -2753.0724
ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2679 21826.9296 0.0000 0.0000 43905.3721 -222425.8457 159.7157 -266331.2178 -222091.3306 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1808 21784.0537 0.0000 0.0000 45520.0192 -222581.3413 165.5893 -268101.3605 -222082.7207 165.5893 -3300.1273 -2735.8132 921491.4634 -3300.1273 -2735.8132
ENERGY: 254 19073.0881 19348.2295 5720.5008 195.9622 -333839.8799 21752.6525 0.0000 0.0000 45220.9195 -222528.5273 164.5013 -267749.4468 -222080.4688 164.5013 -2707.1336 -2696.1701 921491.4634 -2707.1336 -2696.1701
ENERGY: 255 20324.2310 19109.4101 5707.6062 196.0620 -333099.9233 21746.1516 0.0000 0.0000 43667.4212 -222349.0412 158.8501 -266016.4623 -222078.3977 158.8501 -2282.5423 -2662.7814 921491.4634 -2282.5423 -2662.7814
ENERGY: 256 20899.4409 18950.9577 5693.4518 195.6570 -332975.5973 21757.6848 0.0000 0.0000 43181.1612 -222297.2439 157.0812 -265478.4051 -222071.2741 157.0812 -2042.2408 -2664.5199 921491.4634 -2042.2408 -2664.5199
ENERGY: 257 20029.5653 18878.1873 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5469 -222428.4892 161.8371 -266917.0361 -222060.1685 161.8371 -2035.5362 -2692.1442 921491.4634 -2035.5362 -2692.1442
ENERGY: 258 19453.5867 18882.0665 5673.2911 193.6684 -334373.1547 21817.5078 0.0000 0.0000 45796.2578 -222556.7763 166.5942 -268353.0341 -222062.0609 166.5942 -2331.2328 -2737.1920 921491.4634 -2331.2328 -2737.1920
ENERGY: 259 20717.7710 18984.1028 5671.3007 192.3773 -335369.5280 21871.0067 0.0000 0.0000 45431.1555 -222501.8140 165.2661 -267932.9695 -222063.7307 165.2661 -2890.3672 -2780.4961 921491.4634 -2890.3672 -2780.4961
TIMING: 260 CPU: 123.888, 0.471065/step Wall: 123.888, 0.471065/step, 0.0314043 hours remaining, 3223.699219 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 260 22744.9544 19188.2462 5675.1875 191.0393 -336169.7732 21924.7894 0.0000 0.0000 44083.4306 -222362.1257 160.3634 -266445.5563 -222069.6813 160.3634 -3407.4795 -2810.9878 921491.4634 -3407.4795 -2810.9878
ENERGY: 261 23215.5574 19485.4655 5683.6413 189.7700 -336523.9803 21953.3903 0.0000 0.0000 43676.0234 -222320.1324 158.8814 -265996.1557 -222052.8237 158.8814 -3555.3696 -2822.8648 921491.4634 -3555.3696 -2822.8648
ENERGY: 262 21606.2725 19814.6778 5694.0656 188.7122 -336291.7861 21947.6075 0.0000 0.0000 44601.6346 -222438.8161 162.2485 -267040.4507 -222052.4323 162.2485 -3214.7561 -2810.4637 921491.4634 -3214.7561 -2810.4637
ENERGY: 263 19781.1228 20140.5623 5703.8103 187.9445 -335614.9715 21924.4741 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 19385.2259 20436.4306 5710.6950 187.5052 -334855.9512 21907.7773 0.0000 0.0000 44751.4783 -222476.8389 162.7936 -267228.3172 -222069.1984 162.7936 -2191.1925 -2723.5294 921491.4634 -2191.1925 -2723.5294
ENERGY: 265 19946.8414 20681.9926 5713.6241 187.4392 -334395.6633 21906.0164 0.0000 0.0000 43607.6373 -222352.1122 158.6326 -265959.7495 -222054.3373 158.6326 -2038.0571 -2683.6034 921491.4634 -2038.0571 -2683.6034
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4578 21914.4806 0.0000 0.0000 43399.3796 -222348.1913 157.8750 -265747.5709 -222054.3635 157.8750 -2130.7239 -2664.5956 921491.4634 -2130.7239 -2664.5956
ENERGY: 267 19648.0905 20691.2678 5707.0583 187.8501 -334831.4857 21930.8375 0.0000 0.0000 44220.2168 -222446.1647 160.8610 -266666.3815 -222055.6586 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7515 5700.1930 187.9286 -335513.7450 21959.1258 0.0000 0.0000 44823.5377 -222504.2924 163.0557 -267327.8301 -222075.9875 163.0557 -2903.2125 -2658.6181 921491.4634 -2903.2125 -2658.6181
ENERGY: 269 21396.7814 19927.1702 5694.0390 187.7639 -336221.0663 21997.2161 0.0000 0.0000 44586.5099 -222431.5858 162.1935 -267018.0956 -222066.1973 162.1935 -3401.4130 -2647.2949 921491.4634 -3401.4130 -2647.2949
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1935 19450.9167 5690.3173 187.1618 -336650.6776 22028.8072 0.0000 0.0000 44308.0074 -222365.2738 161.1804 -266673.2812 -222067.0434 161.1804 -3583.3635 -2617.7583 921491.4634 -3583.3635 -2617.7583
ENERGY: 271 22345.5825 19078.8065 5690.0209 186.1610 -336571.7893 22035.2502 0.0000 0.0000 44829.4471 -222406.5211 163.0772 -267235.9683 -222066.8386 163.0772 -3261.2175 -2569.2622 921491.4634 -3261.2175 -2569.2622
ENERGY: 272 21021.5585 18896.0661 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7075 -222503.3110 165.9083 -268111.0185 -222081.1572 165.9083 -2551.9684 -2501.8804 921491.4634 -2551.9684 -2501.8804
ENERGY: 273 20123.2136 18932.9080 5697.5118 183.8526 -334925.7012 21985.5297 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0459 165.5264 -1837.1974 -2434.6760 921491.4634 -1837.1974 -2434.6760
ENERGY: 274 20074.7415 19121.4862 5701.6806 183.0070 -333931.6256 21965.2977 0.0000 0.0000 44478.5174 -222406.8951 161.8006 -266885.4125 -222066.8028 161.8006 -1366.5211 -2384.6634 921491.4634 -1366.5211 -2384.6634
ENERGY: 275 20005.4316 19374.0680 5703.3424 182.5376 -333318.5601 21960.8300 0.0000 0.0000 43741.9681 -222350.3824 159.1213 -266092.3505 -222065.7692 159.1213 -1269.7929 -2374.8868 921491.4634 -1269.7929 -2374.8868
ENERGY: 276 19401.8501 19594.7507 5701.2547 182.4904 -333292.1280 21971.0411 0.0000 0.0000 44028.5270 -222412.2141 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1298 -2417.6040 921491.4634 -1580.1298 -2417.6040
ENERGY: 277 19149.2971 19724.7159 5695.5210 182.9396 -333864.3453 21997.2388 0.0000 0.0000 44632.8111 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7544 -2498.0544 921491.4634 -2311.7544 -2498.0544
ENERGY: 278 20199.4577 19713.7759 5686.9122 183.6585 -334821.1004 22041.3360 0.0000 0.0000 44532.2539 -222463.7062 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8157 -2593.7696 921491.4634 -3254.8157 -2593.7696
ENERGY: 279 21984.3650 19593.9431 5677.5176 184.5187 -335888.5802 22096.4200 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2024 159.9693 -4044.3214 -2682.8389 921491.4634 -4044.3214 -2682.8389
TIMING: 280 CPU: 133.302, 0.470723/step Wall: 133.302, 0.470723/step, 0.0287664 hours remaining, 3223.699219 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: 280 22859.3232 19458.4367 5670.0026 185.3899 -336752.6635 22145.1355 0.0000 0.0000 44066.7337 -222367.6419 160.3027 -266434.3756 -222073.4247 160.3027 -4286.3895 -2748.0546 921491.4634 -4286.3895 -2748.0546
ENERGY: 281 22172.5961 19445.1184 5667.0588 186.2206 -337154.6806 22172.1193 0.0000 0.0000 45063.2421 -222448.3253 163.9277 -267511.5675 -222064.8519 163.9277 -3881.2952 -2782.5902 921491.4634 -3881.2952 -2782.5902
ENERGY: 282 20943.7899 19615.5380 5669.9796 186.8360 -336942.5037 22176.7656 0.0000 0.0000 45823.3369 -222526.2578 166.6927 -268349.5946 -222063.3316 166.6927 -2992.3272 -2779.3668 921491.4634 -2992.3272 -2779.3668
ENERGY: 283 20432.1060 19966.6616 5678.8137 187.1634 -336251.9203 22171.0650 0.0000 0.0000 45328.8519 -222487.2587 164.8939 -267816.1106 -222060.8460 164.8939 -2008.7735 -2748.2306 921491.4634 -2008.7735 -2748.2306
ENERGY: 284 20506.3997 20401.8823 5692.0830 187.1346 -335412.6300 22166.2911 0.0000 0.0000 44071.4479 -222387.3914 160.3198 -266458.8393 -222061.5539 160.3198 -1267.2788 -2712.3901 921491.4634 -1267.2788 -2712.3901
ENERGY: 285 20203.3286 20789.9630 5707.3564 186.7145 -334827.1965 22167.0167 0.0000 0.0000 43418.2630 -222354.5544 157.9437 -265772.8174 -222053.5966 157.9437 -1010.8435 -2700.0819 921491.4634 -1010.8435 -2700.0819
ENERGY: 286 19396.6308 20966.5623 5721.5031 185.8230 -334658.1148 22176.6864 0.0000 0.0000 43785.6881 -222425.2211 159.2803 -266210.9092 -222054.0581 159.2803 -1306.7500 -2717.2846 921491.4634 -1306.7500 -2717.2846
ENERGY: 287 19176.1190 20856.7824 5731.9346 184.4714 -334918.1480 22200.2911 0.0000 0.0000 44282.9437 -222485.6058 161.0892 -266768.5495 -222055.7252 161.0892 -2148.9611 -2753.3343 921491.4634 -2148.9611 -2753.3343
ENERGY: 288 20263.2089 20475.2852 5736.9557 182.7335 -335468.3152 22237.9039 0.0000 0.0000 44116.9903 -222455.2377 160.4855 -266572.2281 -222066.9055 160.4855 -3310.5880 -2790.1554 921491.4634 -3310.5880 -2790.1554
ENERGY: 289 21886.4836 19928.6979 5736.1905 180.7560 -336126.9126 22279.0691 0.0000 0.0000 43733.4511 -222382.2644 159.0903 -266115.7155 -222062.2726 159.0903 -4368.9817 -2809.8750 921491.4634 -4368.9817 -2809.8750
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9846 19325.5266 5730.3279 178.6973 -336571.4577 22308.2176 0.0000 0.0000 44027.4232 -222385.2805 160.1597 -266412.7037 -222063.4686 160.1597 -4815.3289 -2796.0390 921491.4634 -4815.3289 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 149.02
LDB: Largest compute 200 load 0.519860 is 1.1% of average load 45.727566
LDB: Average compute 0.064039 is 0.1% of average load 45.727566
LDB: TIME 149.021 LOAD: AVG 45.7276 MAX 47.1338 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 149.022 LOAD: AVG 45.7276 MAX 47.1338 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 149.038 LOAD: AVG 45.7276 MAX 46.244 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 149.039
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.041
Info: Initial time: 4 CPUs 0.471026 s/step 5.45169 days/ns 3224.05 MB memory
TIMING: 300 CPU: 142.713, 0.470539/step Wall: 142.713, 0.470539/step, 0.026141 hours remaining, 3224.050781 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: 300 21869.9884 20174.1891 5731.6694 182.6816 -337209.9033 22385.4781 0.0000 0.0000 44423.7994 -222442.0973 161.6016 -266865.8968 -222076.5869 161.6016 -4600.9410 -2563.6018 921491.4634 -4600.9410 -2563.6018
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ENERGY: 302 21723.0648 20395.7910 5720.2599 184.8676 -337483.0155 22416.9293 0.0000 0.0000 44599.2669 -222442.8361 162.2399 -267042.1029 -222057.3400 162.2399 -3958.8649 -2554.2736 921491.4634 -3958.8649 -2554.2736
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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: 151.93, 0.460858/step Wall: 151.93, 0.460858/step, 0.0230429 hours remaining, 3224.050781 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: 325 19096.1751 20584.7378 5683.7433 184.8441 -335297.0509 22494.0545 0.0000 0.0000 44763.3949 -222490.1012 162.8369 -267253.4961 -222060.9514 162.8369 -1264.0242 -2529.6545 921491.4634 -1264.0242 -2529.6545
ENERGY: 326 18959.6360 20052.8004 5675.9627 186.2078 -334820.0100 22490.4170 0.0000 0.0000 44971.8218 -222483.1643 163.5951 -267454.9861 -222059.6110 163.5951 -572.2139 -2503.0557 921491.4634 -572.2139 -2503.0557
ENERGY: 327 20020.7819 19506.2794 5669.7116 187.2139 -334851.2526 22513.0146 0.0000 0.0000 44550.7421 -222403.5091 162.0634 -266954.2512 -222059.8762 162.0634 -657.4989 -2506.5013 921491.4634 -657.4989 -2506.5013
ENERGY: 328 20934.1977 19092.0091 5666.7484 187.7399 -335303.4705 22549.7454 0.0000 0.0000 44493.2352 -222379.7947 161.8542 -266873.0300 -222061.7258 161.8542 -1393.2037 -2547.3517 921491.4634 -1393.2037 -2547.3517
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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: 337 20420.1631 19649.7064 5693.3319 179.7347 -334824.3557 22536.4224 0.0000 0.0000 43995.5995 -222349.3977 160.0439 -266344.9972 -222040.1025 160.0439 -1064.7181 -2460.5858 921491.4634 -1064.7181 -2460.5858
ENERGY: 338 21007.5744 19722.4645 5687.5590 179.5437 -335808.8620 22564.1946 0.0000 0.0000 44285.9170 -222361.6089 161.1000 -266647.5259 -222041.5959 161.1000 -1500.9497 -2462.8574 921491.4634 -1500.9497 -2462.8574
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TIMING: 340 CPU: 161.141, 0.46055/step Wall: 161.141, 0.46055/step, 0.0204689 hours remaining, 3224.050781 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: 350 21009.3453 19066.8675 5675.7227 182.5405 -336836.8360 22661.9756 0.0000 0.0000 45710.0736 -222530.3108 166.2807 -268240.3844 -222058.0878 166.2807 -2896.5509 -2326.8867 921491.4634 -2896.5509 -2326.8867
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TIMING: 360 CPU: 170.347, 0.460316/step Wall: 170.347, 0.460316/step, 0.0179012 hours remaining, 3224.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 377 20646.4607 20251.1593 5706.5521 182.3248 -335763.5799 22794.3778 0.0000 0.0000 43848.2749 -222334.4302 159.5080 -266182.7051 -222041.4012 159.5080 -1819.5855 -2472.4984 921491.4634 -1819.5855 -2472.4984
ENERGY: 378 20473.8100 20495.6594 5711.4639 183.2952 -336584.2277 22821.5841 0.0000 0.0000 44474.7530 -222423.6621 161.7869 -266898.4151 -222044.3967 161.7869 -2972.9871 -2523.3497 921491.4634 -2972.9871 -2523.3497
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TIMING: 380 CPU: 179.54, 0.459653/step Wall: 179.54, 0.459653/step, 0.0153218 hours remaining, 3224.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 385 19327.8182 19356.8909 5707.7752 177.4354 -335210.6400 22871.6146 0.0000 0.0000 45299.7167 -222469.3890 164.7879 -267769.1057 -222051.0994 164.7879 215.3516 -2064.3635 921491.4634 215.3516 -2064.3635
ENERGY: 386 19981.2273 19220.9462 5707.6638 175.9384 -334865.1817 22880.7960 0.0000 0.0000 44519.8583 -222378.7517 161.9510 -266898.6100 -222051.0438 161.9510 122.6671 -2011.2427 921491.4634 122.6671 -2011.2427
ENERGY: 387 20367.2860 19202.4842 5710.9354 174.6759 -335109.8726 22905.2746 0.0000 0.0000 44377.1814 -222372.0350 161.4320 -266749.2164 -222053.0051 161.4320 -738.9584 -2019.1688 921491.4634 -738.9584 -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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LDB: ============= START OF LOAD BALANCING ============== 195.069
LDB: Largest compute 230 load 0.526110 is 1.2% of average load 45.670379
LDB: Average compute 0.063961 is 0.1% of average load 45.670379
LDB: TIME 195.071 LOAD: AVG 45.6704 MAX 46.028 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.05 MB
LDB: TIME 195.071 LOAD: AVG 45.6704 MAX 46.028 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: TIME 195.071 LOAD: AVG 45.6704 MAX 46.028 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.05 MB
LDB: ============== END OF LOAD BALANCING =============== 195.072
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.073
Info: Benchmark time: 4 CPUs 0.460231 s/step 5.32675 days/ns 3224.05 MB memory
TIMING: 400 CPU: 188.74, 0.459984/step Wall: 188.74, 0.459984/step, 0.0127773 hours remaining, 3224.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 403 20784.9694 19778.4826 5715.7218 174.2695 -337239.9778 23077.8395 0.0000 0.0000 45225.5965 -222483.0984 164.5183 -267708.6950 -222046.6854 164.5183 -3613.5978 -2605.7428 921491.4634 -3613.5978 -2605.7428
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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: 416 19942.3169 20661.9895 5710.0857 195.6954 -336157.5863 23063.1713 0.0000 0.0000 44200.2853 -222384.0423 160.7885 -266584.3276 -222052.9645 160.7885 -282.7614 -2224.6898 921491.4634 -282.7614 -2224.6898
ENERGY: 417 20031.3748 20631.3208 5709.0494 192.4696 -336373.1076 23072.1098 0.0000 0.0000 44338.4622 -222398.3211 161.2911 -266736.7833 -222044.6994 161.2911 -112.4553 -2227.1699 921491.4634 -112.4553 -2227.1699
ENERGY: 418 20154.6648 20457.0907 5705.5848 188.6536 -336970.7869 23098.6726 0.0000 0.0000 44915.1424 -222450.9779 163.3889 -267366.1204 -222046.7094 163.3889 -671.8546 -2269.9921 921491.4634 -671.8546 -2269.9921
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TIMING: 420 CPU: 197.912, 0.458599/step Wall: 197.912, 0.458599/step, 0.0101911 hours remaining, 3224.050781 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: 427 19598.5314 19595.2901 5707.1504 168.7509 -335498.4320 23074.5011 0.0000 0.0000 44915.2767 -222438.9314 163.3894 -267354.2081 -222048.7341 163.3894 -741.9008 -2207.6354 921491.4634 -741.9008 -2207.6354
ENERGY: 428 20140.4226 19760.4173 5710.4629 168.5259 -336199.9852 23087.7681 0.0000 0.0000 44884.2585 -222448.1300 163.2766 -267332.3885 -222058.0552 163.2766 -935.5730 -2206.9583 921491.4634 -935.5730 -2206.9583
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3739 5712.1700 168.1897 -338096.9201 23149.4496 0.0000 0.0000 44626.3088 -222402.4409 162.3382 -267028.7497 -222047.3918 162.3382 -2472.2455 -2268.0464 921491.4634 -2472.2455 -2268.0464
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ENERGY: 432 21768.3703 20188.6724 5710.3547 168.1086 -338651.2096 23176.0848 0.0000 0.0000 45177.9899 -222461.6288 164.3451 -267639.6188 -222065.9061 164.3451 -3350.2742 -2296.1497 921491.4634 -3350.2742 -2296.1497
ENERGY: 433 21200.9072 20275.9663 5710.3763 168.4633 -338164.0631 23162.2912 0.0000 0.0000 45192.9273 -222453.1314 164.3994 -267646.0587 -222052.5985 164.3994 -3187.3733 -2272.1275 921491.4634 -3187.3733 -2272.1275
ENERGY: 434 20730.3413 20338.1499 5711.6061 169.3247 -337394.2697 23140.7736 0.0000 0.0000 44883.0987 -222420.9755 163.2724 -267304.0742 -222051.1466 163.2724 -2694.3107 -2227.7885 921491.4634 -2694.3107 -2227.7885
ENERGY: 435 20235.2200 20362.4014 5714.0003 170.8455 -336680.6547 23123.4097 0.0000 0.0000 44675.9830 -222398.7948 162.5189 -267074.7778 -222049.5892 162.5189 -2061.3582 -2179.8951 921491.4634 -2061.3582 -2179.8951
ENERGY: 436 19670.9241 20349.9980 5717.2346 173.0864 -336303.8803 23119.9076 0.0000 0.0000 44847.0976 -222425.6319 163.1414 -267272.7296 -222059.6962 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5091 5720.9894 175.9827 -336411.9777 23136.3865 0.0000 0.0000 45159.2682 -222455.2903 164.2770 -267614.5585 -222050.7505 164.2770 -1319.1169 -2134.4850 921491.4634 -1319.1169 -2134.4850
ENERGY: 438 19935.1532 20278.6095 5724.6884 179.3849 -336899.4570 23173.5516 0.0000 0.0000 45148.1320 -222459.9376 164.2365 -267608.0696 -222051.5670 164.2365 -1493.0943 -2145.0882 921491.4634 -1493.0943 -2145.0882
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TIMING: 440 CPU: 207.08, 0.458409/step Wall: 207.08, 0.458409/step, 0.00764015 hours remaining, 3224.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5683 20036.2372 5729.7527 186.7202 -338123.1805 23276.2481 0.0000 0.0000 44417.5458 -222405.1081 161.5788 -266822.6540 -222059.4775 161.5788 -2408.4615 -2197.9673 921491.4634 -2408.4615 -2197.9673
ENERGY: 441 22355.5485 19860.0410 5730.3488 190.1146 -338361.1715 23313.2040 0.0000 0.0000 44502.6965 -222409.2181 161.8886 -266911.9147 -222050.0862 161.8886 -2716.1030 -2221.5315 921491.4634 -2716.1030 -2221.5315
ENERGY: 442 21853.6116 19664.5351 5729.4854 192.9412 -338090.1534 23327.1562 0.0000 0.0000 44880.6322 -222441.7916 163.2634 -267322.4238 -222049.7757 163.2634 -2710.5579 -2229.0698 921491.4634 -2710.5579 -2229.0698
ENERGY: 443 21064.3316 19487.0725 5727.6165 194.9329 -337369.3151 23320.0152 0.0000 0.0000 45118.1109 -222457.2356 164.1273 -267575.3465 -222048.5998 164.1273 -2448.1651 -2220.3533 921491.4634 -2448.1651 -2220.3533
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1927 23301.5270 0.0000 0.0000 44987.7179 -222447.0593 163.6530 -267434.7771 -222057.9802 163.6530 -2090.2102 -2206.4403 921491.4634 -2090.2102 -2206.4403
ENERGY: 445 20125.5609 19307.2519 5723.6513 195.6942 -335759.3918 23283.8132 0.0000 0.0000 44708.7158 -222414.7046 162.6380 -267123.4204 -222046.5432 162.6380 -1846.9629 -2201.6929 921491.4634 -1846.9629 -2201.6929
ENERGY: 446 19947.6805 19324.9006 5722.5430 194.3235 -335494.5712 23276.0444 0.0000 0.0000 44620.2949 -222408.7843 162.3164 -267029.0793 -222046.1625 162.3164 -1800.7521 -2216.7297 921491.4634 -1800.7521 -2216.7297
ENERGY: 447 19914.2848 19416.0209 5722.2107 191.8641 -335769.4403 23282.7450 0.0000 0.0000 44816.5092 -222425.8054 163.0301 -267242.3146 -222046.8347 163.0301 -1993.3116 -2253.0607 921491.4634 -1993.3116 -2253.0607
ENERGY: 448 20187.5922 19583.6799 5722.5765 188.5554 -336503.1799 23303.8897 0.0000 0.0000 45065.6677 -222451.2186 163.9365 -267516.8863 -222059.3482 163.9365 -2372.1880 -2303.7900 921491.4634 -2372.1880 -2303.7900
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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 21754.4853 20108.1299 5724.4776 181.0898 -338419.3246 23364.6236 0.0000 0.0000 44854.3097 -222432.2087 163.1677 -267286.5184 -222048.7861 163.1677 -3116.6759 -2394.3897 921491.4634 -3116.6759 -2394.3897
ENERGY: 451 22355.5901 20357.7254 5724.7144 177.6517 -338952.0905 23381.8001 0.0000 0.0000 44542.6987 -222411.9101 162.0341 -266954.6089 -222048.8247 162.0341 -3074.2535 -2405.7799 921491.4634 -3074.2535 -2405.7799
ENERGY: 452 22246.2014 20536.0133 5723.8953 174.8859 -338927.1537 23378.0939 0.0000 0.0000 44452.9196 -222415.1442 161.7075 -266868.0639 -222059.6373 161.7075 -2659.9608 -2384.7570 921491.4634 -2659.9608 -2384.7570
ENERGY: 453 21399.8727 20641.1310 5722.2879 173.1350 -338392.7935 23354.5903 0.0000 0.0000 44683.7032 -222418.0733 162.5470 -267101.7765 -222043.5374 162.5470 -2048.3341 -2342.4670 921491.4634 -2048.3341 -2342.4670
ENERGY: 454 20248.3384 20654.1373 5720.2217 172.3637 -337567.1417 23320.6898 0.0000 0.0000 45008.1463 -222443.2444 163.7273 -267451.3908 -222041.8394 163.7273 -1453.4580 -2293.1452 921491.4634 -1453.4580 -2293.1452
ENERGY: 455 19486.7909 20584.7120 5718.4844 172.5169 -336790.6456 23290.4021 0.0000 0.0000 45086.5787 -222451.1606 164.0126 -267537.7393 -222040.8573 164.0126 -1151.8825 -2255.8573 921491.4634 -1151.8825 -2255.8573
ENERGY: 456 19493.3721 20440.6800 5717.7556 173.4248 -336350.1078 23274.9630 0.0000 0.0000 44811.4727 -222438.4396 163.0118 -267249.9123 -222055.3487 163.0118 -1305.5003 -2245.5823 921491.4634 -1305.5003 -2245.5823
ENERGY: 457 20047.4927 20251.9435 5718.5580 174.9241 -336395.8168 23277.8274 0.0000 0.0000 44521.8707 -222403.2003 161.9583 -266925.0710 -222049.4133 161.9583 -1906.4164 -2263.5013 921491.4634 -1906.4164 -2263.5013
ENERGY: 458 20585.8434 20019.2724 5720.7061 176.6081 -336835.0963 23294.7173 0.0000 0.0000 44632.7890 -222405.1600 162.3618 -267037.9490 -222051.2823 162.3618 -2684.6987 -2301.0427 921491.4634 -2684.6987 -2301.0427
ENERGY: 459 20903.4946 19784.9692 5724.0021 178.1984 -337468.1649 23318.6984 0.0000 0.0000 45113.9368 -222444.8653 164.1121 -267558.8021 -222053.1412 164.1121 -3350.5833 -2341.5796 921491.4634 -3350.5833 -2341.5796
TIMING: 460 CPU: 216.235, 0.457711/step Wall: 216.235, 0.457711/step, 0.00508568 hours remaining, 3224.050781 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 460 21262.6139 19597.9068 5728.0972 179.4910 -338014.3777 23341.8003 0.0000 0.0000 45423.8565 -222480.6120 165.2395 -267904.4685 -222064.6840 165.2395 -3669.8204 -2365.2414 921491.4634 -3669.8204 -2365.2414
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ENERGY: 462 22264.2256 19487.8115 5736.4823 180.9531 -337988.7183 23351.1089 0.0000 0.0000 44559.9290 -222408.2078 162.0968 -266968.1369 -222056.7218 162.0968 -2954.8202 -2323.4252 921491.4634 -2954.8202 -2323.4252
ENERGY: 463 21821.1793 19513.9022 5738.9361 181.1160 -337284.1041 23326.9481 0.0000 0.0000 44313.4568 -222388.5656 161.2002 -266702.0224 -222054.6246 161.2002 -2012.4425 -2264.0779 921491.4634 -2012.4425 -2264.0779
ENERGY: 464 20535.2462 19559.9278 5739.2518 181.0096 -336389.3849 23291.1945 0.0000 0.0000 44654.0263 -222428.7287 162.4391 -267082.7549 -222058.5731 162.4391 -1050.9226 -2205.5268 921491.4634 -1050.9226 -2205.5268
ENERGY: 465 19322.7828 19631.8859 5737.2899 180.7155 -335701.1541 23259.7395 0.0000 0.0000 45094.5683 -222474.1722 164.0416 -267568.7405 -222052.9390 164.0416 -512.3345 -2174.4008 921491.4634 -512.3345 -2174.4008
ENERGY: 466 19088.4509 19708.3585 5733.2107 180.2808 -335443.7730 23245.0608 0.0000 0.0000 45020.7904 -222467.6209 163.7733 -267488.4112 -222052.9788 163.7733 -630.3312 -2182.6710 921491.4634 -630.3312 -2182.6710
ENERGY: 467 19841.8067 19783.1744 5727.6704 179.7757 -335721.0952 23249.4534 0.0000 0.0000 44523.6661 -222415.5485 161.9649 -266939.2146 -222054.3497 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8480 19845.4943 5721.5090 179.2779 -336451.5667 23265.8130 0.0000 0.0000 44291.6578 -222385.9668 161.1209 -266677.6247 -222056.3596 161.1209 -2508.6715 -2314.1341 921491.4634 -2508.6715 -2314.1341
ENERGY: 469 21236.3016 19910.2020 5715.6824 178.8504 -337458.3201 23284.3966 0.0000 0.0000 44720.3193 -222412.5678 162.6802 -267132.8871 -222046.0756 162.6802 -3596.7407 -2405.7973 921491.4634 -3596.7407 -2405.7973
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 470 21411.1731 19972.8932 5710.9492 178.5947 -338383.2505 23297.0677 0.0000 0.0000 45346.4564 -222466.1162 164.9579 -267812.5726 -222047.6094 164.9579 -4259.6997 -2477.6832 921491.4634 -4259.6997 -2477.6832
ENERGY: 471 21732.8677 20054.6831 5707.9627 178.5890 -338913.2448 23297.5089 0.0000 0.0000 45471.3357 -222470.2976 165.4122 -267941.6333 -222047.5365 165.4122 -4290.5685 -2504.3175 921491.4634 -4290.5685 -2504.3175
ENERGY: 472 22081.2359 20161.5547 5707.0091 178.9047 -338870.6758 23279.4496 0.0000 0.0000 45028.5287 -222433.9932 163.8014 -267462.5219 -222059.5061 163.8014 -3659.7360 -2479.9183 921491.4634 -3659.7360 -2479.9183
ENERGY: 473 21866.1361 20289.3420 5707.9843 179.6165 -338307.7181 23240.7368 0.0000 0.0000 44634.5163 -222389.3863 162.3681 -267023.9025 -222043.8543 162.3681 -2556.3615 -2408.1656 921491.4634 -2556.3615 -2408.1656
ENERGY: 474 20842.9703 20372.0979 5710.2161 180.7466 -337438.4542 23189.2352 0.0000 0.0000 44733.2296 -222409.9585 162.7272 -267143.1881 -222041.2623 162.7272 -1295.5523 -2316.2727 921491.4634 -1295.5523 -2316.2727
ENERGY: 475 19674.2078 20371.7668 5712.9876 182.2512 -336604.2303 23142.3821 0.0000 0.0000 45070.2128 -222450.4220 163.9530 -267520.6348 -222039.4533 163.9530 -344.6447 -2232.2125 921491.4634 -344.6447 -2232.2125
ENERGY: 476 19235.7859 20282.0270 5715.7683 184.0125 -336100.0893 23115.8469 0.0000 0.0000 45106.0624 -222460.5862 164.0835 -267566.6487 -222053.6139 164.0835 -92.4046 -2183.0650 921491.4634 -92.4046 -2183.0650
ENERGY: 477 19704.7247 20145.9811 5718.4976 185.9230 -336101.8781 23114.2942 0.0000 0.0000 44812.3200 -222420.1375 163.0149 -267232.4575 -222044.8412 163.0149 -667.4943 -2171.8226 921491.4634 -667.4943 -2171.8226
ENERGY: 478 20493.4776 19974.7639 5721.0254 187.7262 -336537.4031 23131.2462 0.0000 0.0000 44627.0323 -222402.1315 162.3409 -267029.1638 -222047.4108 162.3409 -1807.1602 -2198.7954 921491.4634 -1807.1602 -2198.7954
ENERGY: 479 21125.3059 19793.3959 5723.3295 189.2099 -337215.5836 23156.6772 0.0000 0.0000 44802.1568 -222425.5083 162.9779 -267227.6651 -222050.5461 162.9779 -3089.8515 -2246.7916 921491.4634 -3089.8515 -2246.7916
TIMING: 480 CPU: 225.385, 0.457534/step Wall: 225.385, 0.457534/step, 0.00254186 hours remaining, 3224.050781 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 21624.0328 19623.1969 5725.3111 190.1900 -337854.6785 23181.5118 0.0000 0.0000 45051.6807 -222458.7551 163.8856 -267510.4358 -222064.6211 163.8856 -4077.7327 -2291.4892 921491.4634 -4077.7327 -2291.4892
ENERGY: 481 22092.4853 19510.0439 5727.0953 190.6351 -338199.2482 23196.7958 0.0000 0.0000 45041.3364 -222440.8564 163.8480 -267482.1928 -222052.5267 163.8480 -4466.2394 -2305.6733 921491.4634 -4466.2394 -2305.6733
ENERGY: 482 22186.3467 19466.6800 5728.4964 190.3598 -338044.5420 23192.7473 0.0000 0.0000 44865.8518 -222414.0602 163.2096 -267279.9120 -222051.4114 163.2096 -4059.3098 -2278.0616 921491.4634 -4059.3098 -2278.0616
ENERGY: 483 21553.1414 19511.5750 5729.5660 189.3227 -337426.2188 23165.8738 0.0000 0.0000 44861.8968 -222414.8431 163.1953 -267276.7399 -222048.7673 163.1953 -2964.1723 -2216.4117 921491.4634 -2964.1723 -2216.4117
ENERGY: 484 20460.8927 19631.1942 5730.2465 187.5455 -336590.8886 23126.1349 0.0000 0.0000 45003.6030 -222451.2717 163.7107 -267454.8748 -222059.8742 163.7107 -1565.2426 -2143.1851 921491.4634 -1565.2426 -2143.1851
ENERGY: 485 19688.7721 19800.2993 5730.5256 185.2458 -335902.5866 23092.8467 0.0000 0.0000 44955.5725 -222449.3246 163.5360 -267404.8970 -222045.9606 163.5360 -422.1570 -2086.8737 921491.4634 -422.1570 -2086.8737
ENERGY: 486 19602.5426 19954.8176 5729.7198 182.4662 -335612.3565 23080.3804 0.0000 0.0000 44645.9117 -222416.5182 162.4096 -267062.4299 -222044.6760 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0924 20072.0212 5727.4348 179.4360 -335846.4476 23091.0540 0.0000 0.0000 44503.3494 -222392.0599 161.8910 -266895.4093 -222045.2407 161.8910 -192.2348 -2106.8842 921491.4634 -192.2348 -2106.8842
ENERGY: 488 20125.2098 20156.1359 5723.5441 176.4338 -336552.5446 23118.8612 0.0000 0.0000 44827.0556 -222425.3042 163.0685 -267252.3598 -222057.1940 163.0685 -1145.7535 -2194.6681 921491.4634 -1145.7535 -2194.6681
ENERGY: 489 20526.8872 20236.4604 5718.5749 173.8639 -337540.4647 23156.7305 0.0000 0.0000 45266.1003 -222461.8474 164.6656 -267727.9477 -222045.6087 164.6656 -2511.2406 -2316.7068 921491.4634 -2511.2406 -2316.7068
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 20292.9016 5712.8912 171.8438 -338458.1352 23196.4873 0.0000 0.0000 45213.5629 -222459.6995 164.4745 -267673.2624 -222048.2209 164.4745 -3823.4040 -2437.4156 921491.4634 -3823.4040 -2437.4156
ENERGY: 491 22430.4638 20312.1354 5707.3795 170.5404 -338984.5784 23226.0933 0.0000 0.0000 44733.0091 -222404.9570 162.7264 -267137.9661 -222049.4640 162.7264 -4629.6936 -2524.6216 921491.4634 -4629.6936 -2524.6216
ENERGY: 492 22612.9545 20289.6804 5702.9944 170.0208 -338937.5809 23232.7201 0.0000 0.0000 44542.1953 -222387.0154 162.0323 -266929.2107 -222060.3863 162.0323 -4606.8526 -2557.4732 921491.4634 -4606.8526 -2557.4732
ENERGY: 493 21558.2188 20260.7368 5700.7779 170.3201 -338358.0628 23214.0532 0.0000 0.0000 45033.8231 -222420.1329 163.8207 -267453.9561 -222046.5904 163.8207 -3796.3821 -2540.0998 921491.4634 -3796.3821 -2540.0998
ENERGY: 494 20068.3368 20225.0257 5700.9805 171.2193 -337454.3832 23183.0791 0.0000 0.0000 45622.2475 -222483.4943 165.9612 -268105.7418 -222044.0871 165.9612 -2500.8995 -2482.1071 921491.4634 -2500.8995 -2482.1071
ENERGY: 495 19383.2465 20186.8299 5703.5926 172.5416 -336566.9884 23159.4620 0.0000 0.0000 45484.1229 -222477.1929 165.4587 -267961.3158 -222041.5567 165.4587 -1249.6840 -2407.3058 921491.4634 -1249.6840 -2407.3058
ENERGY: 496 19722.4835 20130.6473 5708.0350 174.0933 -335998.7150 23154.2631 0.0000 0.0000 44699.5268 -222409.6660 162.6046 -267109.1928 -222049.0670 162.6046 -478.8999 -2343.4752 921491.4634 -478.8999 -2343.4752
ENERGY: 497 20212.6667 20059.9178 5713.4613 175.7242 -335952.5036 23166.3540 0.0000 0.0000 44261.0285 -222363.3510 161.0095 -266624.3795 -222042.7500 161.0095 -421.0233 -2316.7929 921491.4634 -421.0233 -2316.7929
ENERGY: 498 20182.0162 19957.1219 5718.5597 177.2604 -336366.4925 23189.3580 0.0000 0.0000 44728.2531 -222413.9233 162.7091 -267142.1764 -222044.5219 162.7091 -993.4679 -2331.6473 921491.4634 -993.4679 -2331.6473
ENERGY: 499 20158.0675 19847.7313 5722.4089 178.6361 -337058.4815 23219.2398 0.0000 0.0000 45439.2640 -222493.1339 165.2956 -267932.3979 -222047.2062 165.2956 -2020.8687 -2376.3390 921491.4634 -2020.8687 -2376.3390
Info: Benchmark time: 4 CPUs 0.457309 s/step 5.29293 days/ns 3224.05 MB memory
TIMING: 500 CPU: 234.471, 0.454301/step Wall: 234.471, 0.454301/step, 0 hours remaining, 3224.050781 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 20974.8933 19756.6589 5724.4523 179.8271 -337741.4186 23251.1003 0.0000 0.0000 45359.0773 -222495.4094 165.0039 -267854.4868 -222061.0912 165.0039 -3197.5169 -2425.4144 921491.4634 -3197.5169 -2425.4144
WRITING EXTENDED SYSTEM TO OUTPUT FILE AT STEP 500
WRITING COORDINATES TO OUTPUT FILE AT STEP 500
The last position output (seq=-2) takes 0.002 seconds, 3228.812 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3228.812 MB of memory in use
====================================================
WallClock: 241.686417 CPUTime: 241.686417 Memory: 3228.812500 MB
[Partition 0][Node 0] End of program
Application 110196674 resources: utime ~948s, stime ~20s, Rss ~126388, inblocks ~67011, outblocks ~72238
Displaying status file:
verified
WALL=241.686417
CPU=241.686417
MEM=3228.812500
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins14353568910447220495.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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