Skipping 717 KB..
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 54.3114
LDB: Largest compute 200 load 0.432430 is 1.2% of average load 36.837324
LDB: Average compute 0.051602 is 0.1% of average load 36.837324
LDB: Partitioning computes with target load 3.683732
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055523
LDB: ============== END OF LOAD BALANCING =============== 54.3136
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.3144
Info: Initial time: 4 CPUs 0.474261 s/step 5.48914 days/ns 3221.54 MB memory
TIMING: 100 CPU: 48.3976, 0.473323/step Wall: 48.3976, 0.473323/step, 0.0525915 hours remaining, 3221.542969 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 ============== 63.7591
LDB: ============== END OF LOAD BALANCING =============== 63.7592
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 63.7596
TIMING: 120 CPU: 57.8408, 0.472161/step Wall: 57.8408, 0.472161/step, 0.0498392 hours remaining, 3221.742188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4342 21083.5324 0.0000 0.0000 42784.9638 -222340.8739 155.6399 -265125.8377 -222213.1815 155.6399 -2704.7054 -2927.3524 921491.4634 -2704.7054 -2927.3524
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TIMING: 140 CPU: 67.2821, 0.472062/step Wall: 67.2821, 0.472062/step, 0.0472062 hours remaining, 3221.941406 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: 76.7102, 0.471408/step Wall: 76.7102, 0.471408/step, 0.0445219 hours remaining, 3222.105469 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 20887.8856 0.0000 0.0000 43070.6067 -222342.9105 156.6790 -265413.5172 -222161.4907 156.6790 -5004.1555 -2859.8871 921491.4634 -5004.1555 -2859.8871
ENERGY: 163 21937.9853 18346.8656 5696.1509 188.4544 -332368.8225 20884.6196 0.0000 0.0000 43005.6961 -222309.0506 156.4429 -265314.7467 -222160.7802 156.4429 -4776.8221 -2868.7270 921491.4634 -4776.8221 -2868.7270
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ENERGY: 168 21619.4181 19999.6889 5775.3367 206.4584 -333382.4925 20963.4338 0.0000 0.0000 42492.3350 -222325.8217 154.5754 -264818.1567 -222149.7707 154.5754 -1735.9904 -2933.5976 921491.4634 -1735.9904 -2933.5976
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 176 19195.1038 18891.7630 5743.5896 160.0071 -332124.2128 20943.2095 0.0000 0.0000 44722.5120 -222468.0278 162.6882 -267190.5398 -222127.3370 162.6882 -2658.3220 -2727.5044 921491.4634 -2658.3220 -2727.5044
ENERGY: 177 21863.3195 18664.1736 5738.9484 156.2659 -332371.2412 20981.6518 0.0000 0.0000 42714.2625 -222252.6196 155.3827 -264966.8820 -222125.5137 155.3827 -2870.6845 -2681.8089 921491.4634 -2870.6845 -2681.8089
ENERGY: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2132 0.0000 0.0000 43101.1545 -222314.9825 156.7902 -265416.1370 -222126.1322 156.7902 -2936.2255 -2665.7683 921491.4634 -2936.2255 -2665.7683
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TIMING: 180 CPU: 86.1251, 0.470744/step Wall: 86.1251, 0.470744/step, 0.0418439 hours remaining, 3222.246094 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 184 18376.8756 19424.9915 5710.5469 174.1844 -332181.9081 21042.4479 0.0000 0.0000 44880.5527 -222572.3091 163.2631 -267452.8618 -222144.6143 163.2631 -1576.6177 -2645.2274 921491.4634 -1576.6177 -2645.2274
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ENERGY: 186 19266.0405 19234.9570 5686.4352 181.9571 -332240.0936 21043.7459 0.0000 0.0000 44391.5887 -222435.3692 161.4844 -266826.9578 -222129.2888 161.4844 -2596.4732 -2731.4264 921491.4634 -2596.4732 -2731.4264
ENERGY: 187 22073.2967 19471.4302 5678.7398 184.6336 -333156.1125 21076.9264 0.0000 0.0000 42449.0056 -222222.0801 154.4178 -264671.0857 -222130.9080 154.4178 -3641.8535 -2802.0867 921491.4634 -3641.8535 -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 -332668.2730 21129.4587 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7435 -2596.5494 921491.4634 -3040.7435 -2596.5494
ENERGY: 198 21224.0059 18800.3006 5711.3574 186.3640 -333385.4997 21161.1533 0.0000 0.0000 43911.2864 -222391.0321 159.7372 -266302.3185 -222090.4392 159.7372 -4381.6807 -2646.7679 921491.4634 -4381.6807 -2646.7679
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LDB: ============= START OF LOAD BALANCING ============== 101.463
LDB: Largest compute 200 load 0.427243 is 1.2% of average load 36.657528
LDB: Average compute 0.051338 is 0.1% of average load 36.657528
LDB: TIME 101.465 LOAD: AVG 36.6575 MAX 37.7033 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.56 MB
LDB: TIME 101.467 LOAD: AVG 36.6575 MAX 37.5243 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.56 MB
LDB: ============== END OF LOAD BALANCING =============== 101.469
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.472
Info: Initial time: 4 CPUs 0.471469 s/step 5.45682 days/ns 3223.79 MB memory
TIMING: 200 CPU: 95.5546, 0.471474/step Wall: 95.5546, 0.471474/step, 0.0392895 hours remaining, 3223.792969 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 -334670.2809 21209.9247 0.0000 0.0000 45319.1600 -222569.9770 164.8586 -267889.1371 -222114.5243 164.8586 -5241.8525 -2703.6812 921491.4634 -5241.8525 -2703.6812
ENERGY: 201 23380.1031 18674.3333 5716.2802 191.4189 -334751.7130 21239.1340 0.0000 0.0000 43222.4694 -222327.9741 157.2315 -265550.4435 -222100.1077 157.2315 -4546.2005 -2661.1899 921491.4634 -4546.2005 -2661.1899
ENERGY: 202 23622.8118 18850.8450 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5587 -222241.0646 154.3580 -264673.6232 -222096.8289 154.3580 -3005.0519 -2588.0013 921491.4634 -3005.0519 -2588.0013
ENERGY: 203 20743.8946 19130.0390 5729.2400 192.0764 -333501.9371 21215.8253 0.0000 0.0000 44059.6986 -222431.1633 160.2771 -266490.8618 -222093.6426 160.2771 -1046.8258 -2512.4434 921491.4634 -1046.8258 -2512.4434
ENERGY: 204 17862.6125 19486.9556 5734.1463 191.2124 -332722.2196 21188.8402 0.0000 0.0000 45629.4719 -222628.9808 165.9875 -268258.4526 -222116.7000 165.9875 452.9933 -2462.2928 921491.4634 452.9933 -2462.2928
ENERGY: 205 18189.0791 19868.9413 5735.7153 189.6741 -332398.2547 21197.9185 0.0000 0.0000 44690.7149 -222526.2115 162.5725 -267216.9263 -222099.8058 162.5725 731.8536 -2447.6352 921491.4634 731.8536 -2447.6352
ENERGY: 206 20668.8901 20170.9984 5732.9811 187.6404 -332716.3429 21241.8391 0.0000 0.0000 42439.0584 -222274.9354 154.3816 -264713.9938 -222100.3395 154.3816 -230.6566 -2488.2936 921491.4634 -230.6566 -2488.2936
ENERGY: 207 21693.8031 20338.2889 5726.5434 185.3060 -333603.9786 21289.9001 0.0000 0.0000 42143.6914 -222226.4457 153.3072 -264370.1371 -222103.0930 153.3072 -1896.3475 -2585.9682 921491.4634 -1896.3475 -2585.9682
ENERGY: 208 20293.2702 20371.8902 5718.1572 182.8654 -334789.2377 21322.2409 0.0000 0.0000 44428.6270 -222472.1868 161.6191 -266900.8138 -222122.6316 161.6191 -3669.0641 -2719.7952 921491.4634 -3669.0641 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6800 -222642.3818 168.3309 -268916.0618 -222106.7903 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 20194.2568 5705.3139 178.4614 -336615.7770 21385.1095 0.0000 0.0000 45251.4334 -222516.0284 164.6123 -267767.4618 -222108.2019 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
ENERGY: 211 24099.1929 19985.8632 5704.9373 176.9105 -336667.8930 21415.1477 0.0000 0.0000 43031.7284 -222254.1131 156.5376 -265285.8415 -222106.8544 156.5376 -5900.2979 -2885.1010 921491.4634 -5900.2979 -2885.1010
ENERGY: 212 23739.2711 19730.8222 5710.0295 176.0352 -336013.6227 21412.5983 0.0000 0.0000 42995.1638 -222249.7026 156.4046 -265244.8664 -222104.2319 156.4046 -4424.1004 -2820.3210 921491.4634 -4424.1004 -2820.3210
ENERGY: 213 20150.2161 19524.5249 5720.1722 175.9508 -334874.6444 21380.5551 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2253 -222097.3835 165.2210 -2174.3118 -2725.0841 921491.4634 -2174.3118 -2725.0841
ENERGY: 214 17315.5529 19421.7448 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7408 170.8220 -143.6685 -2626.0578 921491.4634 -143.6685 -2626.0578
ENERGY: 215 18210.5055 19441.9743 5746.5772 178.1492 -332787.3322 21379.5596 0.0000 0.0000 45302.6746 -222527.8917 164.7987 -267830.5663 -222091.0447 164.7987 784.0015 -2554.0368 921491.4634 784.0015 -2554.0368
ENERGY: 216 20973.4716 19522.5062 5756.9571 180.1770 -332560.1062 21436.4836 0.0000 0.0000 42442.1788 -222248.3320 154.3930 -264690.5108 -222073.6158 154.3930 420.9902 -2541.5429 921491.4634 420.9902 -2541.5429
ENERGY: 217 21778.3866 19581.4820 5762.2416 182.5517 -333010.6759 21497.2705 0.0000 0.0000 41983.6751 -222225.0684 152.7251 -264208.7435 -222064.4466 152.7251 -882.1698 -2598.7244 921491.4634 -882.1698 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1150 21546.6561 0.0000 0.0000 44178.6837 -222478.5362 160.7099 -266657.2199 -222068.8157 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
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TIMING: 220 CPU: 104.982, 0.471385/step Wall: 104.982, 0.471385/step, 0.0366633 hours remaining, 3223.792969 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: 114.402, 0.471006/step Wall: 114.402, 0.471006/step, 0.0340171 hours remaining, 3223.792969 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 22110.7716 20111.8207 5758.5348 169.0441 -335904.8194 21831.0567 0.0000 0.0000 43526.8719 -222396.7196 158.3388 -265923.5915 -222063.5736 158.3388 -4623.1689 -2633.0913 921491.4634 -4623.1689 -2633.0913
ENERGY: 243 19462.3620 19969.6444 5749.3614 168.8705 -335233.7066 21770.4748 0.0000 0.0000 45537.0690 -222575.9246 165.6513 -268112.9936 -222061.6674 165.6513 -3760.4505 -2614.6992 921491.4634 -3760.4505 -2614.6992
ENERGY: 244 18822.2464 19849.3933 5737.4544 169.6534 -334482.6008 21720.5676 0.0000 0.0000 45629.1662 -222554.1195 165.9864 -268183.2857 -222078.7771 165.9864 -2667.7298 -2573.2149 921491.4634 -2667.7298 -2573.2149
ENERGY: 245 20148.2368 19811.7598 5725.7785 171.4559 -334087.5945 21701.2470 0.0000 0.0000 44168.5248 -222360.5918 160.6730 -266529.1165 -222068.6366 160.6730 -1771.6900 -2533.5454 921491.4634 -1771.6900 -2533.5454
ENERGY: 246 20878.5481 19853.7024 5716.8932 174.1558 -334213.1205 21705.0850 0.0000 0.0000 43600.4181 -222284.3179 158.6063 -265884.7360 -222067.4296 158.6063 -1173.7929 -2523.3912 921491.4634 -1173.7929 -2523.3912
ENERGY: 247 19868.5286 19979.6440 5712.7400 177.5412 -334802.1842 21719.8454 0.0000 0.0000 44912.1911 -222431.6937 163.3782 -267343.8849 -222068.1394 163.3782 -982.9999 -2552.5930 921491.4634 -982.9999 -2552.5930
ENERGY: 248 19035.4924 20164.4297 5713.8450 181.3144 -335623.1354 21746.4311 0.0000 0.0000 46185.9362 -222595.6866 168.0117 -268781.6228 -222090.3128 168.0117 -1359.1246 -2608.3066 921491.4634 -1359.1246 -2608.3066
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 252 21994.9042 20013.1599 5733.2541 193.8023 -336093.2677 21826.9296 0.0000 0.0000 43905.3720 -222425.8456 159.7157 -266331.2176 -222091.3305 159.7157 -3843.4682 -2758.0338 921491.4634 -3843.4682 -2758.0338
ENERGY: 253 19499.8637 19667.1122 5729.5496 195.2411 -334977.1807 21784.0537 0.0000 0.0000 45520.0192 -222581.3412 165.5893 -268101.3604 -222082.7205 165.5893 -3300.1273 -2735.8131 921491.4634 -3300.1273 -2735.8131
ENERGY: 254 19073.0881 19348.2296 5720.5008 195.9622 -333839.8798 21752.6525 0.0000 0.0000 45220.9195 -222528.5271 164.5013 -267749.4466 -222080.4686 164.5013 -2707.1336 -2696.1700 921491.4634 -2707.1336 -2696.1700
ENERGY: 255 20324.2311 19109.4102 5707.6062 196.0620 -333099.9232 21746.1516 0.0000 0.0000 43667.4211 -222349.0410 158.8501 -266016.4621 -222078.3975 158.8501 -2282.5424 -2662.7814 921491.4634 -2282.5424 -2662.7814
ENERGY: 256 20899.4409 18950.9579 5693.4518 195.6570 -332975.5974 21757.6848 0.0000 0.0000 43181.1611 -222297.2439 157.0812 -265478.4050 -222071.2741 157.0812 -2042.2408 -2664.5198 921491.4634 -2042.2408 -2664.5198
ENERGY: 257 20029.5653 18878.1874 5681.1759 194.7976 -333481.0040 21780.2420 0.0000 0.0000 44488.5467 -222428.4892 161.8371 -266917.0359 -222060.1685 161.8371 -2035.5361 -2692.1441 921491.4634 -2035.5361 -2692.1441
ENERGY: 258 19453.5866 18882.0667 5673.2911 193.6684 -334373.1546 21817.5078 0.0000 0.0000 45796.2577 -222556.7764 166.5942 -268353.0340 -222062.0609 166.5942 -2331.2327 -2737.1919 921491.4634 -2331.2327 -2737.1919
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TIMING: 260 CPU: 123.812, 0.470484/step Wall: 123.812, 0.470484/step, 0.0313656 hours remaining, 3224.097656 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 21606.2724 19814.6776 5694.0656 188.7122 -336291.7858 21947.6075 0.0000 0.0000 44601.6346 -222438.8160 162.2485 -267040.4506 -222052.4323 162.2485 -3214.7560 -2810.4636 921491.4634 -3214.7560 -2810.4636
ENERGY: 263 19781.1228 20140.5621 5703.8103 187.9445 -335614.9712 21924.4741 0.0000 0.0000 45349.7771 -222527.2804 164.9700 -267877.0574 -222051.1547 164.9700 -2647.8114 -2773.3902 921491.4634 -2647.8114 -2773.3902
ENERGY: 264 19385.2260 20436.4305 5710.6950 187.5052 -334855.9511 21907.7773 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 19946.8415 20681.9925 5713.6241 187.4392 -334395.6631 21906.0164 0.0000 0.0000 43607.6372 -222352.1121 158.6326 -265959.7493 -222054.3372 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7898 20788.8701 5712.1327 187.6137 -334399.4576 21914.4806 0.0000 0.0000 43399.3795 -222348.1912 157.8750 -265747.5707 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2679 5707.0583 187.8501 -334831.4855 21930.8375 0.0000 0.0000 44220.2167 -222446.1646 160.8610 -266666.3813 -222055.6584 160.8610 -2435.4234 -2662.6782 921491.4634 -2435.4234 -2662.6782
ENERGY: 268 19962.9160 20375.7516 5700.1930 187.9286 -335513.7449 21959.1258 0.0000 0.0000 44823.5375 -222504.2924 163.0557 -267327.8300 -222075.9875 163.0557 -2903.2124 -2658.6180 921491.4634 -2903.2124 -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 22620.1932 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 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5584 18896.0662 5692.8269 184.9335 -335921.4615 22015.0581 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1571 165.9083 -2551.9683 -2501.8804 921491.4634 -2551.9683 -2501.8804
ENERGY: 273 20123.2136 18932.9081 5697.5118 183.8526 -334925.7013 21985.5297 0.0000 0.0000 45502.7160 -222499.9695 165.5264 -268002.6855 -222069.0458 165.5264 -1837.1975 -2434.6759 921491.4634 -1837.1975 -2434.6759
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ENERGY: 276 19401.8501 19594.7509 5701.2546 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5271 -222412.2140 160.1637 -266440.7411 -222072.9395 160.1637 -1580.1300 -2417.6040 921491.4634 -1580.1300 -2417.6040
ENERGY: 277 19149.2971 19724.7160 5695.5210 182.9396 -333864.3454 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 20199.4576 19713.7759 5686.9122 183.6585 -334821.1003 22041.3359 0.0000 0.0000 44532.2540 -222463.7062 161.9961 -266995.9602 -222063.4131 161.9961 -3254.8156 -2593.7696 921491.4634 -3254.8156 -2593.7696
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TIMING: 280 CPU: 133.215, 0.470143/step Wall: 133.215, 0.470143/step, 0.028731 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 282 20943.7898 19615.5378 5669.9796 186.8360 -336942.5032 22176.7654 0.0000 0.0000 45823.3370 -222526.2576 166.6927 -268349.5946 -222063.3314 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1061 19966.6614 5678.8137 187.1634 -336251.9199 22171.0648 0.0000 0.0000 45328.8519 -222487.2585 164.8939 -267816.1105 -222060.8458 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3287 20789.9629 5707.3565 186.7145 -334827.1966 22167.0165 0.0000 0.0000 43418.2630 -222354.5546 157.9437 -265772.8176 -222053.5968 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6308 20966.5622 5721.5031 185.8229 -334658.1149 22176.6862 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0583 159.2803 -1306.7502 -2717.2847 921491.4634 -1306.7502 -2717.2847
ENERGY: 287 19176.1189 20856.7823 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9438 -222485.6060 161.0892 -266768.5498 -222055.7254 161.0892 -2148.9612 -2753.3344 921491.4634 -2148.9612 -2753.3344
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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LDB: ============= START OF LOAD BALANCING ============== 148.555
LDB: Largest compute 200 load 0.521396 is 1.1% of average load 45.724915
LDB: Average compute 0.064043 is 0.1% of average load 45.724915
LDB: TIME 148.556 LOAD: AVG 45.7249 MAX 47.0822 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 148.557 LOAD: AVG 45.7249 MAX 47.0822 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 148.573 LOAD: AVG 45.7249 MAX 46.2471 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 148.574
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 148.576
Info: Initial time: 4 CPUs 0.470502 s/step 5.44562 days/ns 3224.1 MB memory
TIMING: 300 CPU: 142.626, 0.470568/step Wall: 142.626, 0.470568/step, 0.0261427 hours remaining, 3224.097656 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: 151.851, 0.461213/step Wall: 151.851, 0.461213/step, 0.0230606 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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TIMING: 340 CPU: 161.071, 0.460998/step Wall: 161.071, 0.460998/step, 0.0204888 hours remaining, 3224.097656 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: 170.283, 0.460604/step Wall: 170.283, 0.460604/step, 0.0179124 hours remaining, 3224.097656 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 -336175.1992 22790.5190 0.0000 0.0000 46034.3485 -222532.9313 167.4603 -268567.2797 -222068.5918 167.4603 -1420.0426 -2476.3757 921491.4634 -1420.0426 -2476.3757
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ENERGY: 368 20561.5935 19748.2122 5739.6691 179.8275 -335728.0869 22808.6650 0.0000 0.0000 44272.8401 -222417.2795 161.0524 -266690.1196 -222068.2914 161.0524 -2928.4886 -2487.3070 921491.4634 -2928.4886 -2487.3070
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 370 21302.3704 19815.7285 5738.6028 179.1429 -337296.0551 22846.3047 0.0000 0.0000 44920.4940 -222493.4118 163.4084 -267413.9058 -222062.2627 163.4084 -4081.4434 -2576.8190 921491.4634 -4081.4434 -2576.8190
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ENERGY: 376 19884.0273 19962.1765 5703.2010 181.1433 -335321.8626 22772.8698 0.0000 0.0000 44434.3271 -222384.1176 161.6399 -266818.4446 -222050.5530 161.6399 -874.6222 -2439.6903 921491.4634 -874.6222 -2439.6903
ENERGY: 377 20646.4608 20251.1594 5706.5522 182.3249 -335763.5794 22794.3770 0.0000 0.0000 43848.2749 -222334.4303 159.5080 -266182.7052 -222041.4013 159.5080 -1819.5857 -2472.4986 921491.4634 -1819.5857 -2472.4986
ENERGY: 378 20473.8098 20495.6594 5711.4639 183.2952 -336584.2271 22821.5834 0.0000 0.0000 44474.7534 -222423.6621 161.7869 -266898.4155 -222044.3967 161.7869 -2972.9872 -2523.3499 921491.4634 -2972.9872 -2523.3499
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TIMING: 380 CPU: 179.491, 0.460411/step Wall: 179.491, 0.460411/step, 0.015347 hours remaining, 3224.097656 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 19625.4113 19596.0355 5710.5349 179.0647 -336052.0486 22884.2531 0.0000 0.0000 45539.1833 -222517.5659 165.6590 -268056.7491 -222062.0926 165.6590 -569.2382 -2166.9359 921491.4634 -569.2382 -2166.9359
ENERGY: 385 19327.8181 19356.8914 5707.7751 177.4354 -335210.6401 22871.6140 0.0000 0.0000 45299.7170 -222469.3890 164.7879 -267769.1060 -222051.0994 164.7879 215.3512 -2064.3638 921491.4634 215.3512 -2064.3638
ENERGY: 386 19981.2274 19220.9467 5707.6637 175.9384 -334865.1818 22880.7954 0.0000 0.0000 44519.8585 -222378.7516 161.9510 -266898.6100 -222051.0438 161.9510 122.6668 -2011.2429 921491.4634 122.6668 -2011.2429
ENERGY: 387 20367.2860 19202.4847 5710.9354 174.6759 -335109.8726 22905.2740 0.0000 0.0000 44377.1815 -222372.0349 161.4320 -266749.2164 -222053.0050 161.4320 -738.9586 -2019.1690 921491.4634 -738.9586 -2019.1690
ENERGY: 388 20282.3985 19280.0169 5717.2934 173.7038 -335824.1518 22938.2897 0.0000 0.0000 44972.7763 -222459.6732 163.5986 -267432.4494 -222067.4818 163.5986 -2063.8553 -2076.2822 921491.4634 -2063.8553 -2076.2822
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 397 19906.7783 20200.7710 5721.4919 176.2273 -336102.8171 22990.0372 0.0000 0.0000 44712.8673 -222394.6441 162.6531 -267107.5114 -222042.6599 162.6531 -376.0862 -2327.2102 921491.4634 -376.0862 -2327.2102
ENERGY: 398 19692.8113 20133.3591 5716.9814 176.0456 -336812.3374 23014.0582 0.0000 0.0000 45592.7322 -222486.3496 165.8538 -268079.0818 -222045.7222 165.8538 -1710.2236 -2443.6965 921491.4634 -1710.2236 -2443.6965
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LDB: ============= START OF LOAD BALANCING ============== 194.653
LDB: Largest compute 230 load 0.525956 is 1.2% of average load 45.673773
LDB: Average compute 0.063958 is 0.1% of average load 45.673773
LDB: TIME 194.655 LOAD: AVG 45.6738 MAX 46.0769 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.1 MB
LDB: TIME 194.655 LOAD: AVG 45.6738 MAX 46.0769 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: TIME 194.655 LOAD: AVG 45.6738 MAX 46.0769 PROXIES: TOTAL 113 MAXPE 29 MAXPATCH 1 RefineTorusLB MEM: 3224.1 MB
LDB: ============== END OF LOAD BALANCING =============== 194.656
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 194.657
Info: Benchmark time: 4 CPUs 0.460711 s/step 5.3323 days/ns 3224.1 MB memory
TIMING: 400 CPU: 188.701, 0.460528/step Wall: 188.701, 0.460528/step, 0.0127924 hours remaining, 3224.097656 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: 400 21983.9555 19981.4881 5714.2278 174.7230 -338264.6725 23090.3526 0.0000 0.0000 44890.2683 -222429.6572 163.2985 -267319.9256 -222060.6833 163.2985 -4748.6078 -2656.9999 921491.4634 -4748.6078 -2656.9999
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ENERGY: 402 22444.0482 19835.9108 5715.8942 173.8391 -338107.6287 23109.6376 0.0000 0.0000 44436.8096 -222391.4892 161.6489 -266828.2987 -222049.2228 161.6489 -4939.3797 -2681.7025 921491.4634 -4939.3797 -2681.7025
ENERGY: 403 20784.9695 19778.4829 5715.7218 174.2695 -337239.9785 23077.8401 0.0000 0.0000 45225.5961 -222483.0986 164.5183 -267708.6947 -222046.6856 164.5183 -3613.5980 -2605.7429 921491.4634 -3613.5980 -2605.7429
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ENERGY: 408 19735.8467 19387.6646 5692.2152 187.5226 -335902.8219 23017.8175 0.0000 0.0000 45394.4120 -222487.3433 165.1324 -267881.7553 -222063.5312 165.1324 -920.8280 -2294.1556 921491.4634 -920.8280 -2294.1556
ENERGY: 409 20350.1185 19376.4609 5688.4775 191.1593 -336896.6847 23057.9924 0.0000 0.0000 45733.6058 -222498.8704 166.3663 -268232.4762 -222051.6705 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
ENERGY: 410 21850.5210 19470.1804 5687.6649 194.4179 -337813.1847 23106.2031 0.0000 0.0000 45077.0713 -222427.1261 163.9780 -267504.1974 -222054.6428 163.9780 -3838.6211 -2402.0240 921491.4634 -3838.6211 -2402.0240
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ENERGY: 413 21130.1417 20138.5249 5699.9334 199.7191 -337872.5322 23125.1120 0.0000 0.0000 45113.2140 -222465.8871 164.1095 -267579.1011 -222055.3455 164.1095 -3850.6270 -2398.9548 921491.4634 -3850.6270 -2398.9548
ENERGY: 414 19987.3856 20381.5506 5705.1135 199.5118 -337122.7800 23094.4561 0.0000 0.0000 45271.6525 -222483.1099 164.6858 -267754.7624 -222052.1625 164.6858 -2501.3242 -2333.9463 921491.4634 -2501.3242 -2333.9463
ENERGY: 415 19745.2666 20572.1258 5708.7452 198.1487 -336456.1974 23071.1995 0.0000 0.0000 44733.2270 -222427.4846 162.7272 -267160.7117 -222049.0348 162.7272 -1174.6452 -2266.5614 921491.4634 -1174.6452 -2266.5614
ENERGY: 416 19942.3169 20661.9894 5710.0857 195.6953 -336157.5863 23063.1719 0.0000 0.0000 44200.2847 -222384.0423 160.7885 -266584.3270 -222052.9646 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
ENERGY: 417 20031.3748 20631.3207 5709.0494 192.4696 -336373.1077 23072.1103 0.0000 0.0000 44338.4618 -222398.3211 161.2911 -266736.7829 -222044.6995 161.2911 -112.4551 -2227.1698 921491.4634 -112.4551 -2227.1698
ENERGY: 418 20154.6645 20457.0907 5705.5847 188.6536 -336970.7871 23098.6730 0.0000 0.0000 44915.1424 -222450.9780 163.3889 -267366.1204 -222046.7095 163.3889 -671.8544 -2269.9920 921491.4634 -671.8544 -2269.9920
ENERGY: 419 20790.7629 20185.5522 5700.4810 184.6055 -337717.8762 23139.8028 0.0000 0.0000 45250.3103 -222466.3615 164.6082 -267716.6718 -222049.5952 164.6082 -1783.9420 -2336.6464 921491.4634 -1783.9420 -2336.6464
TIMING: 420 CPU: 197.882, 0.459009/step Wall: 197.882, 0.459009/step, 0.0102002 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 423 21418.8986 19324.4276 5689.6736 172.2146 -337416.8969 23180.6044 0.0000 0.0000 45183.9717 -222447.1065 164.3669 -267631.0781 -222051.5234 164.3669 -3955.8308 -2434.9306 921491.4634 -3955.8308 -2434.9306
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ENERGY: 425 19942.3361 19314.5612 5697.3263 169.6877 -335607.5222 23103.7924 0.0000 0.0000 44956.0484 -222423.7701 163.5377 -267379.8185 -222050.7967 163.5377 -1980.9654 -2297.0090 921491.4634 -1980.9654 -2297.0090
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ENERGY: 427 19598.5316 19595.2902 5707.1504 168.7509 -335498.4334 23074.5010 0.0000 0.0000 44915.2780 -222438.9314 163.3894 -267354.2093 -222048.7341 163.3894 -741.9008 -2207.6355 921491.4634 -741.9008 -2207.6355
ENERGY: 428 20140.4226 19760.4173 5710.4628 168.5259 -336199.9865 23087.7680 0.0000 0.0000 44884.2600 -222448.1299 163.2766 -267332.3899 -222058.0551 163.2766 -935.5730 -2206.9584 921491.4634 -935.5730 -2206.9584
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 430 22013.9872 20024.3739 5712.1700 168.1897 -338096.9214 23149.4495 0.0000 0.0000 44626.3102 -222402.4408 162.3383 -267028.7510 -222047.3917 162.3383 -2472.2456 -2268.0465 921491.4634 -2472.2456 -2268.0465
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ENERGY: 432 21768.3704 20188.6724 5710.3547 168.1086 -338651.2108 23176.0847 0.0000 0.0000 45177.9911 -222461.6289 164.3451 -267639.6200 -222065.9062 164.3451 -3350.2744 -2296.1498 921491.4634 -3350.2744 -2296.1498
ENERGY: 433 21200.9072 20275.9662 5710.3763 168.4633 -338164.0643 23162.2912 0.0000 0.0000 45192.9285 -222453.1315 164.3995 -267646.0600 -222052.5986 164.3995 -3187.3736 -2272.1277 921491.4634 -3187.3736 -2272.1277
ENERGY: 434 20730.3412 20338.1497 5711.6061 169.3247 -337394.2708 23140.7736 0.0000 0.0000 44883.0998 -222420.9756 163.2724 -267304.0754 -222051.1467 163.2724 -2694.3110 -2227.7886 921491.4634 -2694.3110 -2227.7886
ENERGY: 435 20235.2201 20362.4012 5714.0003 170.8455 -336680.6557 23123.4098 0.0000 0.0000 44675.9839 -222398.7948 162.5190 -267074.7787 -222049.5893 162.5190 -2061.3584 -2179.8952 921491.4634 -2061.3584 -2179.8952
ENERGY: 436 19670.9243 20349.9978 5717.2345 173.0864 -336303.8812 23119.9079 0.0000 0.0000 44847.0983 -222425.6320 163.1414 -267272.7302 -222059.6962 163.1414 -1520.6598 -2145.1617 921491.4634 -1520.6598 -2145.1617
ENERGY: 437 19434.5515 20329.5089 5720.9894 175.9827 -336411.9784 23136.3869 0.0000 0.0000 45159.2687 -222455.2904 164.2770 -267614.5590 -222050.7506 164.2770 -1319.1168 -2134.4848 921491.4634 -1319.1168 -2134.4848
ENERGY: 438 19935.1529 20278.6093 5724.6884 179.3848 -336899.4575 23173.5520 0.0000 0.0000 45148.1323 -222459.9377 164.2365 -267608.0700 -222051.5671 164.2365 -1493.0939 -2145.0881 921491.4634 -1493.0939 -2145.0881
ENERGY: 439 21052.7404 20184.4295 5727.7929 183.0561 -337561.7717 23224.7483 0.0000 0.0000 44760.8210 -222428.1836 162.8276 -267189.0045 -222052.7968 162.8276 -1936.1987 -2169.8747 921491.4634 -1936.1987 -2169.8747
TIMING: 440 CPU: 207.06, 0.458912/step Wall: 207.06, 0.458912/step, 0.00764854 hours remaining, 3224.097656 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 440 22071.5682 20036.2371 5729.7527 186.7201 -338123.1808 23276.2486 0.0000 0.0000 44417.5456 -222405.1084 161.5788 -266822.6540 -222059.4778 161.5788 -2408.4612 -2197.9672 921491.4634 -2408.4612 -2197.9672
ENERGY: 441 22355.5486 19860.0410 5730.3488 190.1145 -338361.1718 23313.2045 0.0000 0.0000 44502.6960 -222409.2184 161.8886 -266911.9144 -222050.0865 161.8886 -2716.1028 -2221.5315 921491.4634 -2716.1028 -2221.5315
ENERGY: 442 21853.6117 19664.5351 5729.4854 192.9411 -338090.1537 23327.1568 0.0000 0.0000 44880.6317 -222441.7919 163.2634 -267322.4235 -222049.7760 163.2634 -2710.5578 -2229.0697 921491.4634 -2710.5578 -2229.0697
ENERGY: 443 21064.3315 19487.0724 5727.6165 194.9329 -337369.3155 23320.0157 0.0000 0.0000 45118.1105 -222457.2359 164.1273 -267575.3464 -222048.6001 164.1273 -2448.1651 -2220.3532 921491.4634 -2448.1651 -2220.3532
ENERGY: 444 20449.3364 19357.2692 5725.4095 195.8735 -336464.1926 23301.5276 0.0000 0.0000 44987.7174 -222447.0592 163.6530 -267434.7766 -222057.9802 163.6530 -2090.2101 -2206.4400 921491.4634 -2090.2101 -2206.4400
ENERGY: 445 20125.5609 19307.2519 5723.6513 195.6942 -335759.3918 23283.8138 0.0000 0.0000 44708.7150 -222414.7046 162.6380 -267123.4196 -222046.5433 162.6380 -1846.9628 -2201.6926 921491.4634 -1846.9628 -2201.6926
ENERGY: 446 19947.6805 19324.9007 5722.5430 194.3235 -335494.5712 23276.0451 0.0000 0.0000 44620.2941 -222408.7843 162.3164 -267029.0784 -222046.1625 162.3164 -1800.7519 -2216.7294 921491.4634 -1800.7519 -2216.7294
ENERGY: 447 19914.2847 19416.0211 5722.2107 191.8641 -335769.4402 23282.7458 0.0000 0.0000 44816.5083 -222425.8054 163.0301 -267242.3138 -222046.8347 163.0301 -1993.3112 -2253.0603 921491.4634 -1993.3112 -2253.0603
ENERGY: 448 20187.5919 19583.6801 5722.5765 188.5554 -336503.1801 23303.8904 0.0000 0.0000 45065.6670 -222451.2189 163.9365 -267516.8859 -222059.3484 163.9365 -2372.1877 -2303.7898 921491.4634 -2372.1877 -2303.7898
ENERGY: 449 20877.4057 19832.6986 5723.5713 184.8596 -337500.9071 23334.5923 0.0000 0.0000 45101.1673 -222446.6123 164.0657 -267547.7796 -222047.7103 164.0657 -2827.1079 -2356.1407 921491.4634 -2827.1079 -2356.1407
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 450 21754.4852 20108.1299 5724.4776 181.0898 -338419.3249 23364.6243 0.0000 0.0000 44854.3090 -222432.2090 163.1676 -267286.5181 -222048.7864 163.1676 -3116.6755 -2394.3896 921491.4634 -3116.6755 -2394.3896
ENERGY: 451 22355.5901 20357.7254 5724.7144 177.6517 -338952.0909 23381.8008 0.0000 0.0000 44542.6981 -222411.9104 162.0341 -266954.6085 -222048.8250 162.0341 -3074.2532 -2405.7797 921491.4634 -3074.2532 -2405.7797
ENERGY: 452 22246.2014 20536.0132 5723.8953 174.8859 -338927.1539 23378.0944 0.0000 0.0000 44452.9192 -222415.1443 161.7075 -266868.0636 -222059.6374 161.7075 -2659.9606 -2384.7568 921491.4634 -2659.9606 -2384.7568
ENERGY: 453 21399.8726 20641.1309 5722.2878 173.1350 -338392.7936 23354.5909 0.0000 0.0000 44683.7031 -222418.0734 162.5470 -267101.7765 -222043.5375 162.5470 -2048.3340 -2342.4668 921491.4634 -2048.3340 -2342.4668
ENERGY: 454 20248.3382 20654.1372 5720.2217 172.3637 -337567.1418 23320.6903 0.0000 0.0000 45008.1462 -222443.2446 163.7273 -267451.3908 -222041.8395 163.7273 -1453.4580 -2293.1450 921491.4634 -1453.4580 -2293.1450
ENERGY: 455 19486.7908 20584.7119 5718.4844 172.5169 -336790.6457 23290.4025 0.0000 0.0000 45086.5785 -222451.1607 164.0126 -267537.7392 -222040.8574 164.0126 -1151.8825 -2255.8571 921491.4634 -1151.8825 -2255.8571
ENERGY: 456 19493.3722 20440.6800 5717.7555 173.4249 -336350.1079 23274.9633 0.0000 0.0000 44811.4722 -222438.4398 163.0118 -267249.9120 -222055.3489 163.0118 -1305.5005 -2245.5823 921491.4634 -1305.5005 -2245.5823
ENERGY: 457 20047.4928 20251.9434 5718.5580 174.9241 -336395.8169 23277.8277 0.0000 0.0000 44521.8703 -222403.2005 161.9583 -266925.0708 -222049.4135 161.9583 -1906.4164 -2263.5012 921491.4634 -1906.4164 -2263.5012
ENERGY: 458 20585.8433 20019.2723 5720.7060 176.6081 -336835.0963 23294.7175 0.0000 0.0000 44632.7888 -222405.1602 162.3618 -267037.9490 -222051.2825 162.3618 -2684.6986 -2301.0427 921491.4634 -2684.6986 -2301.0427
ENERGY: 459 20903.4944 19784.9690 5724.0021 178.1985 -337468.1648 23318.6985 0.0000 0.0000 45113.9367 -222444.8655 164.1121 -267558.8022 -222053.1414 164.1121 -3350.5830 -2341.5796 921491.4634 -3350.5830 -2341.5796
TIMING: 460 CPU: 216.228, 0.458406/step Wall: 216.228, 0.458406/step, 0.0050934 hours remaining, 3224.097656 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 19597.9064 5728.0971 179.4910 -338014.3774 23341.8004 0.0000 0.0000 45423.8566 -222480.6120 165.2395 -267904.4686 -222064.6840 165.2395 -3669.8201 -2365.2412 921491.4634 -3669.8201 -2365.2412
ENERGY: 461 21862.8764 19507.1076 5732.5752 180.4333 -338251.6224 23355.3937 0.0000 0.0000 45154.6139 -222458.6223 164.2601 -267613.2362 -222058.0511 164.2601 -3556.1666 -2361.1800 921491.4634 -3556.1666 -2361.1800
ENERGY: 462 22264.2257 19487.8110 5736.4822 180.9531 -337988.7179 23351.1088 0.0000 0.0000 44559.9293 -222408.2078 162.0968 -266968.1371 -222056.7218 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1793 19513.9017 5738.9361 181.1160 -337284.1038 23326.9479 0.0000 0.0000 44313.4573 -222388.5656 161.2002 -266702.0229 -222054.6246 161.2002 -2012.4426 -2264.0778 921491.4634 -2012.4426 -2264.0778
ENERGY: 464 20535.2462 19559.9274 5739.2518 181.0096 -336389.3848 23291.1943 0.0000 0.0000 44654.0268 -222428.7288 162.4391 -267082.7555 -222058.5732 162.4391 -1050.9228 -2205.5268 921491.4634 -1050.9228 -2205.5268
ENERGY: 465 19322.7829 19631.8857 5737.2898 180.7155 -335701.1541 23259.7392 0.0000 0.0000 45094.5687 -222474.1723 164.0416 -267568.7410 -222052.9391 164.0416 -512.3347 -2174.4008 921491.4634 -512.3347 -2174.4008
ENERGY: 466 19088.4511 19708.3584 5733.2107 180.2808 -335443.7731 23245.0605 0.0000 0.0000 45020.7906 -222467.6209 163.7733 -267488.4116 -222052.9788 163.7733 -630.3314 -2182.6710 921491.4634 -630.3314 -2182.6710
ENERGY: 467 19841.8069 19783.1746 5727.6703 179.7757 -335721.0954 23249.4531 0.0000 0.0000 44523.6663 -222415.5486 161.9649 -266939.2149 -222054.3498 161.9649 -1393.6028 -2232.5923 921491.4634 -1393.6028 -2232.5923
ENERGY: 468 20761.8480 19845.4945 5721.5089 179.2779 -336451.5669 23265.8126 0.0000 0.0000 44291.6583 -222385.9667 161.1209 -266677.6250 -222056.3595 161.1209 -2508.6714 -2314.1341 921491.4634 -2508.6714 -2314.1341
ENERGY: 469 21236.3014 19910.2023 5715.6824 178.8504 -337458.3204 23284.3963 0.0000 0.0000 44720.3200 -222412.5677 162.6802 -267132.8876 -222046.0754 162.6802 -3596.7405 -2405.7973 921491.4634 -3596.7405 -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 21411.1730 19972.8935 5710.9491 178.5947 -338383.2510 23297.0674 0.0000 0.0000 45346.4572 -222466.1161 164.9579 -267812.5733 -222047.6093 164.9579 -4259.6995 -2477.6832 921491.4634 -4259.6995 -2477.6832
ENERGY: 471 21732.8677 20054.6835 5707.9626 178.5890 -338913.2454 23297.5087 0.0000 0.0000 45471.3365 -222470.2975 165.4122 -267941.6340 -222047.5363 165.4122 -4290.5683 -2504.3176 921491.4634 -4290.5683 -2504.3176
ENERGY: 472 22081.2361 20161.5550 5707.0091 178.9047 -338870.6770 23279.4493 0.0000 0.0000 45028.5296 -222433.9932 163.8014 -267462.5228 -222059.5061 163.8014 -3659.7361 -2479.9184 921491.4634 -3659.7361 -2479.9184
ENERGY: 473 21866.1362 20289.3424 5707.9843 179.6165 -338307.7194 23240.7365 0.0000 0.0000 44634.5173 -222389.3862 162.3681 -267023.9035 -222043.8542 162.3681 -2556.3617 -2408.1657 921491.4634 -2556.3617 -2408.1657
ENERGY: 474 20842.9705 20372.0984 5710.2160 180.7466 -337438.4555 23189.2350 0.0000 0.0000 44733.2306 -222409.9584 162.7272 -267143.1890 -222041.2622 162.7272 -1295.5527 -2316.2728 921491.4634 -1295.5527 -2316.2728
ENERGY: 475 19674.2081 20371.7673 5712.9876 182.2512 -336604.2315 23142.3819 0.0000 0.0000 45070.2136 -222450.4219 163.9531 -267520.6355 -222039.4532 163.9531 -344.6451 -2232.2126 921491.4634 -344.6451 -2232.2126
ENERGY: 476 19235.7862 20282.0274 5715.7683 184.0125 -336100.0905 23115.8468 0.0000 0.0000 45106.0630 -222460.5863 164.0835 -267566.6494 -222053.6140 164.0835 -92.4050 -2183.0652 921491.4634 -92.4050 -2183.0652
ENERGY: 477 19704.7249 20145.9814 5718.4976 185.9230 -336101.8791 23114.2940 0.0000 0.0000 44812.3205 -222420.1376 163.0149 -267232.4582 -222044.8413 163.0149 -667.4945 -2171.8228 921491.4634 -667.4945 -2171.8228
ENERGY: 478 20493.4775 19974.7639 5721.0254 187.7262 -336537.4038 23131.2461 0.0000 0.0000 44627.0330 -222402.1316 162.3409 -267029.1646 -222047.4109 162.3409 -1807.1603 -2198.7956 921491.4634 -1807.1603 -2198.7956
ENERGY: 479 21125.3057 19793.3957 5723.3295 189.2099 -337215.5840 23156.6773 0.0000 0.0000 44802.1575 -222425.5084 162.9779 -267227.6660 -222050.5462 162.9779 -3089.8514 -2246.7917 921491.4634 -3089.8514 -2246.7917
TIMING: 480 CPU: 225.393, 0.458246/step Wall: 225.393, 0.458246/step, 0.00254581 hours remaining, 3224.097656 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 19623.1966 5725.3111 190.1901 -337854.6789 23181.5119 0.0000 0.0000 45051.6813 -222458.7554 163.8856 -267510.4367 -222064.6213 163.8856 -4077.7324 -2291.4891 921491.4634 -4077.7324 -2291.4891
ENERGY: 481 22092.4853 19510.0435 5727.0952 190.6351 -338199.2486 23196.7959 0.0000 0.0000 45041.3368 -222440.8566 163.8480 -267482.1934 -222052.5269 163.8480 -4466.2393 -2305.6733 921491.4634 -4466.2393 -2305.6733
ENERGY: 482 22186.3467 19466.6797 5728.4964 190.3598 -338044.5424 23192.7474 0.0000 0.0000 44865.8521 -222414.0604 163.2096 -267279.9125 -222051.4116 163.2096 -4059.3098 -2278.0615 921491.4634 -4059.3098 -2278.0615
ENERGY: 483 21553.1413 19511.5748 5729.5660 189.3227 -337426.2192 23165.8740 0.0000 0.0000 44861.8971 -222414.8433 163.1953 -267276.7404 -222048.7676 163.1953 -2964.1724 -2216.4116 921491.4634 -2964.1724 -2216.4116
ENERGY: 484 20460.8926 19631.1943 5730.2465 187.5455 -336590.8891 23126.1351 0.0000 0.0000 45003.6033 -222451.2719 163.7107 -267454.8752 -222059.8744 163.7107 -1565.2427 -2143.1851 921491.4634 -1565.2427 -2143.1851
ENERGY: 485 19688.7721 19800.2995 5730.5256 185.2458 -335902.5873 23092.8469 0.0000 0.0000 44955.5726 -222449.3248 163.5360 -267404.8974 -222045.9608 163.5360 -422.1572 -2086.8736 921491.4634 -422.1572 -2086.8736
ENERGY: 486 19602.5426 19954.8180 5729.7198 182.4662 -335612.3575 23080.3806 0.0000 0.0000 44645.9119 -222416.5184 162.4096 -267062.4302 -222044.6763 162.4096 87.3179 -2070.0983 921491.4634 87.3179 -2070.0983
ENERGY: 487 19881.0924 20072.0217 5727.4348 179.4360 -335846.4489 23091.0543 0.0000 0.0000 44503.3496 -222392.0601 161.8910 -266895.4098 -222045.2409 161.8910 -192.2347 -2106.8841 921491.4634 -192.2347 -2106.8841
ENERGY: 488 20125.2098 20156.1364 5723.5441 176.4338 -336552.5462 23118.8615 0.0000 0.0000 44827.0561 -222425.3045 163.0685 -267252.3606 -222057.1943 163.0685 -1145.7534 -2194.6681 921491.4634 -1145.7534 -2194.6681
ENERGY: 489 20526.8871 20236.4610 5718.5749 173.8639 -337540.4665 23156.7310 0.0000 0.0000 45266.1009 -222461.8477 164.6656 -267727.9487 -222045.6090 164.6656 -2511.2404 -2316.7068 921491.4634 -2511.2404 -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 21410.7490 20292.9022 5712.8912 171.8438 -338458.1372 23196.4877 0.0000 0.0000 45213.5635 -222459.6998 164.4745 -267673.2633 -222048.2212 164.4745 -3823.4038 -2437.4156 921491.4634 -3823.4038 -2437.4156
ENERGY: 491 22430.4641 20312.1360 5707.3795 170.5404 -338984.5804 23226.0937 0.0000 0.0000 44733.0096 -222404.9573 162.7264 -267137.9669 -222049.4642 162.7264 -4629.6934 -2524.6216 921491.4634 -4629.6934 -2524.6216
ENERGY: 492 22612.9549 20289.6809 5702.9944 170.0208 -338937.5825 23232.7205 0.0000 0.0000 44542.1956 -222387.0154 162.0323 -266929.2110 -222060.3863 162.0323 -4606.8525 -2557.4730 921491.4634 -4606.8525 -2557.4730
ENERGY: 493 21558.2190 20260.7372 5700.7779 170.3200 -338358.0642 23214.0537 0.0000 0.0000 45033.8234 -222420.1329 163.8207 -267453.9563 -222046.5904 163.8207 -3796.3821 -2540.0997 921491.4634 -3796.3821 -2540.0997
ENERGY: 494 20068.3368 20225.0259 5700.9806 171.2193 -337454.3842 23183.0796 0.0000 0.0000 45622.2478 -222483.4942 165.9612 -268105.7421 -222044.0871 165.9612 -2500.8996 -2482.1069 921491.4634 -2500.8996 -2482.1069
ENERGY: 495 19383.2463 20186.8299 5703.5926 172.5416 -336566.9891 23159.4626 0.0000 0.0000 45484.1233 -222477.1928 165.4587 -267961.3161 -222041.5566 165.4587 -1249.6840 -2407.3056 921491.4634 -1249.6840 -2407.3056
ENERGY: 496 19722.4832 20130.6471 5708.0350 174.0933 -335998.7157 23154.2637 0.0000 0.0000 44699.5272 -222409.6662 162.6046 -267109.1933 -222049.0672 162.6046 -478.8999 -2343.4750 921491.4634 -478.8999 -2343.4750
ENERGY: 497 20212.6666 20059.9175 5713.4613 175.7242 -335952.5043 23166.3548 0.0000 0.0000 44261.0288 -222363.3512 161.0095 -266624.3800 -222042.7502 161.0095 -421.0231 -2316.7927 921491.4634 -421.0231 -2316.7927
ENERGY: 498 20182.0163 19957.1214 5718.5596 177.2604 -336366.4933 23189.3588 0.0000 0.0000 44728.2533 -222413.9235 162.7091 -267142.1767 -222044.5221 162.7091 -993.4676 -2331.6472 921491.4634 -993.4676 -2331.6472
ENERGY: 499 20158.0677 19847.7308 5722.4089 178.6361 -337058.4825 23219.2407 0.0000 0.0000 45439.2642 -222493.1341 165.2956 -267932.3982 -222047.2064 165.2956 -2020.8683 -2376.3389 921491.4634 -2020.8683 -2376.3389
Info: Benchmark time: 4 CPUs 0.457819 s/step 5.29883 days/ns 3224.1 MB memory
TIMING: 500 CPU: 234.483, 0.454528/step Wall: 234.483, 0.454528/step, 0 hours remaining, 3224.097656 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 20974.8935 19756.6584 5724.4523 179.8271 -337741.4193 23251.1012 0.0000 0.0000 45359.0775 -222495.4092 165.0039 -267854.4867 -222061.0910 165.0039 -3197.5163 -2425.4140 921491.4634 -3197.5163 -2425.4140
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, 3229.746 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.746 MB of memory in use
====================================================
WallClock: 241.328232 CPUTime: 241.328232 Memory: 3229.746094 MB
[Partition 0][Node 0] End of program
Application 109547349 resources: utime ~951s, stime ~16s, Rss ~127488, inblocks ~67012, outblocks ~72238
Displaying status file:
verified
WALL=241.328232
CPU=241.328232
MEM=3229.746094
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins10885420775679342912.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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