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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: 90 22711.6048 19691.0677 5699.8921 181.1111 -335712.1129 22705.2746 0.0000 0.0000 42377.6759 -222345.4866 154.1583 -264723.1625 -222389.2088 154.1583 -2670.9832 -2080.5818 921491.4634 -2670.9832 -2080.5818
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LDB: ============= START OF LOAD BALANCING ============== 54.697
LDB: Largest compute 200 load 0.431200 is 1.2% of average load 36.793770
LDB: Average compute 0.051538 is 0.1% of average load 36.793770
LDB: Partitioning computes with target load 3.679377
LDB: Increased migratable compute count from 2736 to 2736
LDB: Largest unpartitionable compute is 0.055627
LDB: ============== END OF LOAD BALANCING =============== 54.6991
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 54.7
Info: Initial time: 4 CPUs 0.47482 s/step 5.4956 days/ns 3221.44 MB memory
TIMING: 100 CPU: 48.4555, 0.473943/step Wall: 48.4555, 0.473943/step, 0.0526604 hours remaining, 3221.441406 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 ============== 64.158
LDB: ============== END OF LOAD BALANCING =============== 64.1581
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 64.1586
TIMING: 120 CPU: 57.9135, 0.472899/step Wall: 57.9135, 0.472899/step, 0.0499171 hours remaining, 3221.617188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 130 21553.6088 18898.7761 5736.4508 185.0194 -334776.0137 21118.0422 0.0000 0.0000 44811.1497 -222472.9667 163.0106 -267284.1164 -222216.5364 163.0106 -5536.0556 -2842.3154 921491.4634 -5536.0556 -2842.3154
ENERGY: 131 21530.9957 19804.6627 5745.0872 187.0957 -335083.2644 21105.7069 0.0000 0.0000 44221.5103 -222488.2059 160.8657 -266709.7162 -222215.1805 160.8657 -5164.7864 -2872.9597 921491.4634 -5164.7864 -2872.9597
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ENERGY: 138 21874.8524 19195.4802 5730.8549 192.8766 -333203.4341 21083.5324 0.0000 0.0000 42784.9639 -222340.8738 155.6399 -265125.8377 -222213.1814 155.6399 -2704.7055 -2927.3525 921491.4634 -2704.7055 -2927.3525
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TIMING: 140 CPU: 67.3636, 0.472505/step Wall: 67.3636, 0.472505/step, 0.0472505 hours remaining, 3221.800781 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 21127.4060 0.0000 0.0000 45144.2514 -222551.1432 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
ENERGY: 150 21015.8993 19956.3835 5767.3089 192.0924 -334899.3753 20845.5771 0.0000 0.0000 44606.5898 -222515.5243 162.2665 -267122.1141 -222153.2664 162.2665 -4472.9375 -2881.9211 921491.4634 -4472.9375 -2881.9211
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TIMING: 160 CPU: 76.8071, 0.472177/step Wall: 76.8071, 0.472177/step, 0.0445945 hours remaining, 3221.964844 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: 178 21917.7899 18733.9559 5737.6245 154.5770 -332975.2975 21015.2133 0.0000 0.0000 43101.1545 -222314.9823 156.7902 -265416.1369 -222126.1321 156.7902 -2936.2256 -2665.7682 921491.4634 -2936.2256 -2665.7682
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TIMING: 180 CPU: 86.2392, 0.471605/step Wall: 86.2392, 0.471605/step, 0.0419205 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: 186 19266.0405 19234.9571 5686.4352 181.9571 -332240.0936 21043.7460 0.0000 0.0000 44391.5887 -222435.3689 161.4844 -266826.9576 -222129.2885 161.4844 -2596.4732 -2731.4263 921491.4634 -2596.4732 -2731.4263
ENERGY: 187 22073.2967 19471.4303 5678.7398 184.6336 -333156.1126 21076.9265 0.0000 0.0000 42449.0057 -222222.0799 154.4178 -264671.0855 -222130.9077 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 21700.3670 19122.7580 5714.1451 184.7200 -332668.2732 21129.4588 0.0000 0.0000 42574.3655 -222242.4588 154.8738 -264816.8243 -222086.7181 154.8738 -3040.7437 -2596.5495 921491.4634 -3040.7437 -2596.5495
ENERGY: 198 21224.0060 18800.3006 5711.3574 186.3640 -333385.4999 21161.1533 0.0000 0.0000 43911.2864 -222391.0322 159.7372 -266302.3186 -222090.4393 159.7372 -4381.6809 -2646.7680 921491.4634 -4381.6809 -2646.7680
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LDB: ============= START OF LOAD BALANCING ============== 101.915
LDB: Largest compute 200 load 0.425322 is 1.2% of average load 36.615905
LDB: Average compute 0.051285 is 0.1% of average load 36.615905
LDB: TIME 101.917 LOAD: AVG 36.6159 MAX 37.7564 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3222.45 MB
LDB: TIME 101.919 LOAD: AVG 36.6159 MAX 37.5963 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 TorusLB MEM: 3222.45 MB
LDB: ============== END OF LOAD BALANCING =============== 101.921
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 101.924
Info: Initial time: 4 CPUs 0.472101 s/step 5.46413 days/ns 3223.58 MB memory
TIMING: 200 CPU: 95.6755, 0.471812/step Wall: 95.6755, 0.471812/step, 0.0393177 hours remaining, 3223.582031 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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ENERGY: 202 23622.8116 18850.8450 5722.5980 192.1474 -334305.3005 21243.2751 0.0000 0.0000 42432.5588 -222241.0645 154.3580 -264673.6233 -222096.8289 154.3580 -3005.0518 -2588.0013 921491.4634 -3005.0518 -2588.0013
ENERGY: 203 20743.8944 19130.0391 5729.2400 192.0764 -333501.9371 21215.8254 0.0000 0.0000 44059.6986 -222431.1632 160.2771 -266490.8619 -222093.6425 160.2771 -1046.8257 -2512.4435 921491.4634 -1046.8257 -2512.4435
ENERGY: 204 17862.6123 19486.9557 5734.1463 191.2124 -332722.2200 21188.8402 0.0000 0.0000 45629.4720 -222628.9811 165.9875 -268258.4531 -222116.7003 165.9875 452.9932 -2462.2930 921491.4634 452.9932 -2462.2930
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ENERGY: 208 20293.2703 20371.8903 5718.1572 182.8654 -334789.2378 21322.2410 0.0000 0.0000 44428.6271 -222472.1866 161.6191 -266900.8137 -222122.6315 161.6191 -3669.0643 -2719.7952 921491.4634 -3669.0643 -2719.7952
ENERGY: 209 19428.8171 20325.0058 5710.3389 180.5135 -335910.2414 21349.5044 0.0000 0.0000 46273.6802 -222642.3816 168.3309 -268916.0618 -222106.7901 168.3309 -5197.7274 -2836.6306 921491.4634 -5197.7274 -2836.6306
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 210 21385.1735 20194.2568 5705.3139 178.4614 -336615.7769 21385.1096 0.0000 0.0000 45251.4335 -222516.0282 164.6123 -267767.4618 -222108.2017 164.6123 -6091.3663 -2896.2627 921491.4634 -6091.3663 -2896.2627
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ENERGY: 212 23739.2710 19730.8221 5710.0295 176.0352 -336013.6226 21412.5983 0.0000 0.0000 42995.1639 -222249.7026 156.4046 -265244.8665 -222104.2319 156.4046 -4424.1003 -2820.3211 921491.4634 -4424.1003 -2820.3211
ENERGY: 213 20150.2160 19524.5248 5720.1722 175.9508 -334874.6443 21380.5552 0.0000 0.0000 45418.7806 -222504.4447 165.2210 -267923.2254 -222097.3835 165.2210 -2174.3118 -2725.0842 921491.4634 -2174.3118 -2725.0842
ENERGY: 214 17315.5528 19421.7448 5733.3059 176.6827 -333645.3936 21358.4485 0.0000 0.0000 46958.4703 -222681.1885 170.8220 -269639.6588 -222093.7407 170.8220 -143.6686 -2626.0579 921491.4634 -143.6686 -2626.0579
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 784.0014 -2554.0369 921491.4634 784.0014 -2554.0369
ENERGY: 216 20973.4717 19522.5062 5756.9571 180.1770 -332560.1060 21436.4836 0.0000 0.0000 42442.1788 -222248.3317 154.3930 -264690.5105 -222073.6155 154.3930 420.9901 -2541.5428 921491.4634 420.9901 -2541.5428
ENERGY: 217 21778.3867 19581.4820 5762.2416 182.5517 -333010.6757 21497.2706 0.0000 0.0000 41983.6750 -222225.0682 152.7251 -264208.7432 -222064.4463 152.7251 -882.1699 -2598.7244 921491.4634 -882.1699 -2598.7244
ENERGY: 218 20165.9157 19540.0891 5761.2415 184.9927 -333856.1147 21546.6561 0.0000 0.0000 44178.6837 -222478.5360 160.7099 -266657.2196 -222068.8154 160.7099 -2628.0652 -2703.9747 921491.4634 -2628.0652 -2703.9747
ENERGY: 219 19429.8640 19413.3932 5754.3577 187.2447 -334778.0709 21596.8809 0.0000 0.0000 45751.9298 -222644.4006 166.4329 -268396.3304 -222073.1719 166.4329 -4457.7332 -2810.5237 921491.4634 -4457.7332 -2810.5237
TIMING: 220 CPU: 105.117, 0.472091/step Wall: 105.117, 0.472091/step, 0.0367182 hours remaining, 3223.582031 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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TIMING: 240 CPU: 114.552, 0.471731/step Wall: 114.552, 0.471731/step, 0.0340694 hours remaining, 3223.582031 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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ENERGY: 248 19035.4925 20164.4295 5713.8450 181.3144 -335623.1353 21746.4311 0.0000 0.0000 46185.9363 -222595.6864 168.0117 -268781.6227 -222090.3126 168.0117 -1359.1247 -2608.3066 921491.4634 -1359.1247 -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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TIMING: 260 CPU: 123.973, 0.471053/step Wall: 123.973, 0.471053/step, 0.0314035 hours remaining, 3223.886719 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: 264 19385.2259 20436.4304 5710.6950 187.5052 -334855.9510 21907.7772 0.0000 0.0000 44751.4784 -222476.8388 162.7936 -267228.3172 -222069.1983 162.7936 -2191.1925 -2723.5293 921491.4634 -2191.1925 -2723.5293
ENERGY: 265 19946.8415 20681.9924 5713.6242 187.4392 -334395.6631 21906.0163 0.0000 0.0000 43607.6374 -222352.1120 158.6326 -265959.7494 -222054.3371 158.6326 -2038.0572 -2683.6034 921491.4634 -2038.0572 -2683.6034
ENERGY: 266 20048.7899 20788.8699 5712.1327 187.6137 -334399.4576 21914.4805 0.0000 0.0000 43399.3797 -222348.1912 157.8750 -265747.5709 -222054.3634 157.8750 -2130.7240 -2664.5956 921491.4634 -2130.7240 -2664.5956
ENERGY: 267 19648.0905 20691.2677 5707.0583 187.8501 -334831.4855 21930.8374 0.0000 0.0000 44220.2169 -222446.1646 160.8610 -266666.3814 -222055.6584 160.8610 -2435.4234 -2662.6783 921491.4634 -2435.4234 -2662.6783
ENERGY: 268 19962.9161 20375.7514 5700.1930 187.9286 -335513.7448 21959.1257 0.0000 0.0000 44823.5377 -222504.2923 163.0557 -267327.8299 -222075.9874 163.0557 -2903.2125 -2658.6180 921491.4634 -2903.2125 -2658.6180
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 270 22620.1934 19450.9167 5690.3173 187.1618 -336650.6773 22028.8071 0.0000 0.0000 44308.0074 -222365.2736 161.1804 -266673.2810 -222067.0433 161.1804 -3583.3634 -2617.7583 921491.4634 -3583.3634 -2617.7583
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ENERGY: 272 21021.5583 18896.0661 5692.8269 184.9335 -335921.4612 22015.0580 0.0000 0.0000 45607.7076 -222503.3109 165.9083 -268111.0185 -222081.1570 165.9083 -2551.9683 -2501.8805 921491.4634 -2551.9683 -2501.8805
ENERGY: 273 20123.2135 18932.9080 5697.5118 183.8526 -334925.7010 21985.5296 0.0000 0.0000 45502.7161 -222499.9694 165.5264 -268002.6855 -222069.0457 165.5264 -1837.1975 -2434.6760 921491.4634 -1837.1975 -2434.6760
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ENERGY: 276 19401.8502 19594.7509 5701.2547 182.4904 -333292.1282 21971.0410 0.0000 0.0000 44028.5272 -222412.2140 160.1637 -266440.7411 -222072.9394 160.1637 -1580.1301 -2417.6041 921491.4634 -1580.1301 -2417.6041
ENERGY: 277 19149.2972 19724.7161 5695.5210 182.9396 -333864.3455 21997.2387 0.0000 0.0000 44632.8112 -222481.8218 162.3619 -267114.6329 -222061.0988 162.3619 -2311.7545 -2498.0545 921491.4634 -2311.7545 -2498.0545
ENERGY: 278 20199.4577 19713.7761 5686.9122 183.6585 -334821.1004 22041.3359 0.0000 0.0000 44532.2540 -222463.7061 161.9961 -266995.9601 -222063.4131 161.9961 -3254.8157 -2593.7697 921491.4634 -3254.8157 -2593.7697
ENERGY: 279 21984.3650 19593.9432 5677.5176 184.5187 -335888.5801 22096.4199 0.0000 0.0000 43975.0879 -222376.7279 159.9693 -266351.8158 -222065.2023 159.9693 -4044.3213 -2682.8389 921491.4634 -4044.3213 -2682.8389
TIMING: 280 CPU: 133.389, 0.470807/step Wall: 133.389, 0.470807/step, 0.0287715 hours remaining, 3223.886719 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 20943.7897 19615.5378 5669.9796 186.8360 -336942.5030 22176.7654 0.0000 0.0000 45823.3370 -222526.2575 166.6927 -268349.5945 -222063.3313 166.6927 -2992.3271 -2779.3668 921491.4634 -2992.3271 -2779.3668
ENERGY: 283 20432.1060 19966.6613 5678.8137 187.1634 -336251.9197 22171.0648 0.0000 0.0000 45328.8520 -222487.2584 164.8939 -267816.1105 -222060.8457 164.8939 -2008.7736 -2748.2306 921491.4634 -2008.7736 -2748.2306
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ENERGY: 285 20203.3288 20789.9627 5707.3565 186.7145 -334827.1965 22167.0165 0.0000 0.0000 43418.2631 -222354.5545 157.9437 -265772.8176 -222053.5967 157.9437 -1010.8438 -2700.0820 921491.4634 -1010.8438 -2700.0820
ENERGY: 286 19396.6309 20966.5621 5721.5031 185.8229 -334658.1148 22176.6862 0.0000 0.0000 43785.6882 -222425.2213 159.2803 -266210.9095 -222054.0582 159.2803 -1306.7503 -2717.2847 921491.4634 -1306.7503 -2717.2847
ENERGY: 287 19176.1190 20856.7822 5731.9346 184.4714 -334918.1480 22200.2909 0.0000 0.0000 44282.9439 -222485.6059 161.0892 -266768.5498 -222055.7253 161.0892 -2148.9614 -2753.3344 921491.4634 -2148.9614 -2753.3344
ENERGY: 288 20263.2089 20475.2851 5736.9557 182.7335 -335468.3147 22237.9036 0.0000 0.0000 44116.9905 -222455.2374 160.4855 -266572.2278 -222066.9051 160.4855 -3310.5879 -2790.1553 921491.4634 -3310.5879 -2790.1553
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 290 22615.9844 19325.5266 5730.3279 178.6973 -336571.4572 22308.2173 0.0000 0.0000 44027.4234 -222385.2801 160.1597 -266412.7035 -222063.4682 160.1597 -4815.3286 -2796.0390 921491.4634 -4815.3286 -2796.0390
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LDB: ============= START OF LOAD BALANCING ============== 149.07
LDB: Largest compute 200 load 0.522370 is 1.1% of average load 45.655698
LDB: Average compute 0.063945 is 0.1% of average load 45.655698
LDB: TIME 149.072 LOAD: AVG 45.6557 MAX 47.1459 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 149.073 LOAD: AVG 45.6557 MAX 47.1459 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 149.088 LOAD: AVG 45.6557 MAX 46.1763 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 149.089
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 149.091
Info: Initial time: 4 CPUs 0.471151 s/step 5.45314 days/ns 3224.24 MB memory
TIMING: 300 CPU: 142.812, 0.471127/step Wall: 142.812, 0.471127/step, 0.0261737 hours remaining, 3224.242188 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: 302 21723.0646 20395.7906 5720.2599 184.8676 -337483.0145 22416.9289 0.0000 0.0000 44599.2671 -222442.8358 162.2399 -267042.1030 -222057.3397 162.2399 -3958.8648 -2554.2736 921491.4634 -3958.8648 -2554.2736
ENERGY: 303 21512.5327 20430.0799 5712.5286 185.2198 -336784.9543 22409.2046 0.0000 0.0000 44154.6911 -222380.6977 160.6226 -266535.3888 -222054.2086 160.6226 -2717.2718 -2487.9822 921491.4634 -2717.2718 -2487.9822
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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: 152.029, 0.460873/step Wall: 152.029, 0.460873/step, 0.0230436 hours remaining, 3224.242188 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: 322 22179.0068 20957.0454 5696.1855 180.4970 -337965.9621 22565.0700 0.0000 0.0000 43989.5239 -222398.6335 160.0218 -266388.1574 -222063.6574 160.0218 -4596.8829 -2640.5013 921491.4634 -4596.8829 -2640.5013
ENERGY: 323 21976.7004 21085.8078 5695.4506 181.8003 -337194.0737 22550.8100 0.0000 0.0000 43361.4902 -222342.0143 157.7372 -265703.5046 -222061.4463 157.7372 -3808.3605 -2616.6944 921491.4634 -3808.3605 -2616.6944
ENERGY: 324 20558.5068 20952.0212 5690.8582 183.3007 -336170.3968 22520.5738 0.0000 0.0000 43857.2499 -222407.8862 159.5406 -266265.1361 -222068.7481 159.5406 -2506.6899 -2573.6930 921491.4634 -2506.6899 -2573.6930
ENERGY: 325 19096.1752 20584.7376 5683.7433 184.8441 -335297.0506 22494.0541 0.0000 0.0000 44763.3953 -222490.1009 162.8369 -267253.4962 -222060.9511 162.8369 -1264.0244 -2529.6546 921491.4634 -1264.0244 -2529.6546
ENERGY: 326 18959.6361 20052.8003 5675.9627 186.2078 -334820.0098 22490.4166 0.0000 0.0000 44971.8222 -222483.1641 163.5951 -267454.9863 -222059.6108 163.5951 -572.2142 -2503.0558 921491.4634 -572.2142 -2503.0558
ENERGY: 327 20020.7821 19506.2794 5669.7116 187.2139 -334851.2525 22513.0143 0.0000 0.0000 44550.7425 -222403.5088 162.0634 -266954.2513 -222059.8759 162.0634 -657.4991 -2506.5014 921491.4634 -657.4991 -2506.5014
ENERGY: 328 20934.1979 19092.0092 5666.7484 187.7399 -335303.4706 22549.7450 0.0000 0.0000 44493.2355 -222379.7947 161.8542 -266873.0302 -222061.7258 161.8542 -1393.2038 -2547.3518 921491.4634 -1393.2038 -2547.3518
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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: 336 19127.9133 19639.0995 5698.6022 180.2744 -334271.7848 22519.6995 0.0000 0.0000 44649.6645 -222456.5313 162.4232 -267106.1958 -222055.6199 162.4232 -1093.5005 -2488.8702 921491.4634 -1093.5005 -2488.8702
ENERGY: 337 20420.1632 19649.7063 5693.3319 179.7347 -334824.3550 22536.4220 0.0000 0.0000 43995.5995 -222349.3974 160.0439 -266344.9969 -222040.1022 160.0439 -1064.7183 -2460.5859 921491.4634 -1064.7183 -2460.5859
ENERGY: 338 21007.5746 19722.4643 5687.5590 179.5437 -335808.8612 22564.1942 0.0000 0.0000 44285.9169 -222361.6086 161.1000 -266647.5255 -222041.5956 161.1000 -1500.9499 -2462.8576 921491.4634 -1500.9499 -2462.8576
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TIMING: 340 CPU: 161.245, 0.460773/step Wall: 161.245, 0.460773/step, 0.0204788 hours remaining, 3224.242188 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: 342 22895.9212 20582.1010 5689.2420 181.0293 -337942.4464 22653.2568 0.0000 0.0000 43612.4988 -222328.3973 158.6503 -265940.8961 -222054.3600 158.6503 -3711.7546 -2460.9855 921491.4634 -3711.7546 -2460.9855
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ENERGY: 344 19898.5080 20447.2066 5699.9573 182.0106 -336095.2668 22596.5925 0.0000 0.0000 44790.9361 -222480.0557 162.9371 -267270.9918 -222071.3576 162.9371 -2338.1160 -2329.7492 921491.4634 -2338.1160 -2329.7492
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ENERGY: 346 19350.9888 19892.9542 5701.0894 182.7368 -334783.0715 22565.1333 0.0000 0.0000 44652.5018 -222437.6671 162.4335 -267090.1690 -222056.8254 162.4335 -1239.3022 -2211.7781 921491.4634 -1239.3022 -2211.7781
ENERGY: 347 20669.8294 19583.9409 5696.3950 182.8447 -334881.4380 22581.1978 0.0000 0.0000 43831.1328 -222336.0974 159.4456 -266167.2302 -222056.9472 159.4456 -1358.8146 -2194.9212 921491.4634 -1358.8146 -2194.9212
ENERGY: 348 21062.2471 19315.9902 5689.3479 182.7918 -335425.6663 22604.2197 0.0000 0.0000 44195.9878 -222375.0818 160.7729 -266571.0695 -222064.0946 160.7729 -1766.2766 -2218.9157 921491.4634 -1766.2766 -2218.9157
ENERGY: 349 20718.9516 19143.3230 5681.9008 182.6959 -336197.3778 22630.4371 0.0000 0.0000 45349.6297 -222490.4398 164.9695 -267840.0695 -222056.3107 164.9695 -2336.6407 -2270.6249 921491.4634 -2336.6407 -2270.6249
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 350 21009.3452 19066.8675 5675.7227 182.5405 -336836.8352 22661.9750 0.0000 0.0000 45710.0739 -222530.3104 166.2807 -268240.3843 -222058.0874 166.2807 -2896.5509 -2326.8867 921491.4634 -2896.5509 -2326.8867
ENERGY: 351 22235.3180 19085.8714 5672.3994 182.3761 -337072.3445 22693.2953 0.0000 0.0000 44770.4140 -222432.6702 162.8625 -267203.0842 -222058.6354 162.8625 -3254.0187 -2369.0507 921491.4634 -3254.0187 -2369.0507
ENERGY: 352 22912.9249 19180.1282 5672.7329 182.2243 -336794.7856 22708.6915 0.0000 0.0000 43795.3996 -222342.6841 159.3156 -266138.0837 -222059.3897 159.3156 -3190.0137 -2394.0290 921491.4634 -3190.0137 -2394.0290
ENERGY: 353 21825.9776 19344.0938 5676.6445 182.1014 -336147.6549 22699.4228 0.0000 0.0000 44043.1859 -222376.2290 160.2170 -266419.4149 -222047.6762 160.2170 -2709.1542 -2407.4664 921491.4634 -2709.1542 -2407.4664
ENERGY: 354 19814.0381 19544.5092 5682.7361 181.9868 -335375.1822 22676.8662 0.0000 0.0000 44983.0759 -222491.9698 163.6361 -267475.0458 -222046.2242 163.6361 -2040.9899 -2415.4742 921491.4634 -2040.9899 -2415.4742
ENERGY: 355 18879.8417 19773.7509 5689.2466 181.9196 -334823.9954 22664.4416 0.0000 0.0000 45120.2681 -222514.5270 164.1351 -267634.7951 -222044.8381 164.1351 -1600.3169 -2424.6828 921491.4634 -1600.3169 -2424.6828
ENERGY: 356 19622.4370 20015.8109 5694.4280 181.9402 -334758.7688 22674.4074 0.0000 0.0000 44153.0888 -222416.6564 160.6168 -266569.7452 -222053.0960 160.6168 -1622.0263 -2446.8267 921491.4634 -1622.0263 -2446.8267
ENERGY: 357 20687.2711 20255.1055 5697.1708 182.0215 -335288.0641 22700.2943 0.0000 0.0000 43438.0180 -222328.1829 158.0156 -265766.2009 -222042.2328 158.0156 -2061.3607 -2486.6664 921491.4634 -2061.3607 -2486.6664
ENERGY: 358 20785.4067 20424.8428 5696.9833 182.1295 -336225.9474 22730.2414 0.0000 0.0000 44019.5824 -222386.7614 160.1311 -266406.3438 -222043.9943 160.1311 -2636.8582 -2541.3594 921491.4634 -2636.8582 -2541.3594
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TIMING: 360 CPU: 170.452, 0.460386/step Wall: 170.452, 0.460386/step, 0.0179039 hours remaining, 3224.242188 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: 378 20473.8100 20495.6593 5711.4639 183.2952 -336584.2270 22821.5835 0.0000 0.0000 44474.7533 -222423.6618 161.7869 -266898.4151 -222044.3965 161.7869 -2972.9873 -2523.3498 921491.4634 -2972.9873 -2523.3498
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TIMING: 380 CPU: 179.654, 0.460071/step Wall: 179.654, 0.460071/step, 0.0153357 hours remaining, 3224.242188 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 19327.8181 19356.8912 5707.7751 177.4354 -335210.6399 22871.6142 0.0000 0.0000 45299.7171 -222469.3887 164.7879 -267769.1059 -222051.0991 164.7879 215.3515 -2064.3637 921491.4634 215.3515 -2064.3637
ENERGY: 386 19981.2273 19220.9465 5707.6637 175.9385 -334865.1817 22880.7956 0.0000 0.0000 44519.8588 -222378.7514 161.9510 -266898.6101 -222051.0435 161.9510 122.6669 -2011.2428 921491.4634 122.6669 -2011.2428
ENERGY: 387 20367.2861 19202.4845 5710.9354 174.6759 -335109.8726 22905.2742 0.0000 0.0000 44377.1818 -222372.0347 161.4320 -266749.2165 -222053.0048 161.4320 -738.9585 -2019.1690 921491.4634 -738.9585 -2019.1690
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ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
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ENERGY: 398 19692.8118 20133.3590 5716.9814 176.0456 -336812.3377 23014.0579 0.0000 0.0000 45592.7327 -222486.3493 165.8538 -268079.0820 -222045.7219 165.8538 -1710.2239 -2443.6967 921491.4634 -1710.2239 -2443.6967
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LDB: ============= START OF LOAD BALANCING ============== 195.139
LDB: Largest compute 230 load 0.523688 is 1.1% of average load 45.658927
LDB: Average compute 0.063934 is 0.1% of average load 45.658927
LDB: TIME 195.141 LOAD: AVG 45.6589 MAX 46.0478 PROXIES: TOTAL 112 MAXPE 28 MAXPATCH 1 None MEM: 3224.24 MB
LDB: TIME 195.141 LOAD: AVG 45.6589 MAX 46.0478 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: TIME 195.141 LOAD: AVG 45.6589 MAX 46.0478 PROXIES: TOTAL 114 MAXPE 30 MAXPATCH 2 RefineTorusLB MEM: 3224.24 MB
LDB: ============== END OF LOAD BALANCING =============== 195.142
Info: useSync: 1 useProxySync: 0
LDB: =============== DONE WITH MIGRATION ================ 195.143
Info: Benchmark time: 4 CPUs 0.460413 s/step 5.32886 days/ns 3224.24 MB memory
TIMING: 400 CPU: 188.857, 0.460168/step Wall: 188.857, 0.460168/step, 0.0127825 hours remaining, 3224.242188 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: 416 19942.3168 20661.9894 5710.0857 195.6954 -336157.5863 23063.1717 0.0000 0.0000 44200.2854 -222384.0419 160.7885 -266584.3273 -222052.9642 160.7885 -282.7612 -2224.6896 921491.4634 -282.7612 -2224.6896
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ENERGY: 418 20154.6650 20457.0907 5705.5847 188.6536 -336970.7872 23098.6730 0.0000 0.0000 44915.1425 -222450.9776 163.3889 -267366.1201 -222046.7091 163.3889 -671.8546 -2269.9920 921491.4634 -671.8546 -2269.9920
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TIMING: 420 CPU: 198.031, 0.458718/step Wall: 198.031, 0.458718/step, 0.0101937 hours remaining, 3224.242188 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: 425 19942.3361 19314.5612 5697.3263 169.6876 -335607.5218 23103.7928 0.0000 0.0000 44956.0484 -222423.7693 163.5377 -267379.8177 -222050.7959 163.5377 -1980.9649 -2297.0087 921491.4634 -1980.9649 -2297.0087
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ENERGY: 428 20140.4231 19760.4175 5710.4628 168.5259 -336199.9866 23087.7686 0.0000 0.0000 44884.2594 -222448.1294 163.2766 -267332.3887 -222058.0546 163.2766 -935.5730 -2206.9582 921491.4634 -935.5730 -2206.9582
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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 22013.9871 20024.3741 5712.1700 168.1897 -338096.9214 23149.4502 0.0000 0.0000 44626.3099 -222402.4403 162.3383 -267028.7503 -222047.3912 162.3383 -2472.2455 -2268.0462 921491.4634 -2472.2455 -2268.0462
ENERGY: 431 22204.1020 20111.4155 5711.2600 168.0704 -338644.7652 23172.3814 0.0000 0.0000 44858.4630 -222419.0729 163.1828 -267277.5359 -222048.7166 163.1828 -3116.2803 -2293.5589 921491.4634 -3116.2803 -2293.5589
ENERGY: 432 21768.3704 20188.6725 5710.3547 168.1086 -338651.2107 23176.0855 0.0000 0.0000 45177.9908 -222461.6283 164.3451 -267639.6191 -222065.9056 164.3451 -3350.2738 -2296.1494 921491.4634 -3350.2738 -2296.1494
ENERGY: 433 21200.9074 20275.9663 5710.3763 168.4633 -338164.0642 23162.2919 0.0000 0.0000 45192.9282 -222453.1308 164.3995 -267646.0590 -222052.5979 164.3995 -3187.3729 -2272.1273 921491.4634 -3187.3729 -2272.1273
ENERGY: 434 20730.3414 20338.1498 5711.6061 169.3247 -337394.2708 23140.7744 0.0000 0.0000 44883.0997 -222420.9749 163.2724 -267304.0745 -222051.1460 163.2724 -2694.3104 -2227.7882 921491.4634 -2694.3104 -2227.7882
ENERGY: 435 20235.2201 20362.4013 5714.0003 170.8455 -336680.6559 23123.4106 0.0000 0.0000 44675.9840 -222398.7942 162.5190 -267074.7782 -222049.5886 162.5190 -2061.3579 -2179.8948 921491.4634 -2061.3579 -2179.8948
ENERGY: 436 19670.9243 20349.9979 5717.2345 173.0864 -336303.8819 23119.9086 0.0000 0.0000 44847.0985 -222425.6316 163.1414 -267272.7302 -222059.6958 163.1414 -1520.6596 -2145.1615 921491.4634 -1520.6596 -2145.1615
ENERGY: 437 19434.5518 20329.5091 5720.9893 175.9827 -336411.9793 23136.3876 0.0000 0.0000 45159.2688 -222455.2900 164.2770 -267614.5588 -222050.7502 164.2770 -1319.1168 -2134.4847 921491.4634 -1319.1168 -2134.4847
ENERGY: 438 19935.1535 20278.6095 5724.6884 179.3848 -336899.4585 23173.5527 0.0000 0.0000 45148.1324 -222459.9372 164.2365 -267608.0696 -222051.5667 164.2365 -1493.0942 -2145.0880 921491.4634 -1493.0942 -2145.0880
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TIMING: 440 CPU: 207.199, 0.458372/step Wall: 207.199, 0.458372/step, 0.00763953 hours remaining, 3224.242188 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 20036.2374 5729.7527 186.7201 -338123.1817 23276.2493 0.0000 0.0000 44417.5461 -222405.1078 161.5788 -266822.6539 -222059.4772 161.5788 -2408.4612 -2197.9670 921491.4634 -2408.4612 -2197.9670
ENERGY: 441 22355.5486 19860.0413 5730.3488 190.1145 -338361.1726 23313.2051 0.0000 0.0000 44502.6965 -222409.2178 161.8886 -266911.9143 -222050.0859 161.8886 -2716.1027 -2221.5313 921491.4634 -2716.1027 -2221.5313
ENERGY: 442 21853.6119 19664.5354 5729.4854 192.9411 -338090.1544 23327.1574 0.0000 0.0000 44880.6319 -222441.7913 163.2634 -267322.4232 -222049.7755 163.2634 -2710.5575 -2229.0695 921491.4634 -2710.5575 -2229.0695
ENERGY: 443 21064.3317 19487.0728 5727.6164 194.9329 -337369.3161 23320.0164 0.0000 0.0000 45118.1106 -222457.2353 164.1273 -267575.3459 -222048.5995 164.1273 -2448.1647 -2220.3530 921491.4634 -2448.1647 -2220.3530
ENERGY: 444 20449.3364 19357.2695 5725.4095 195.8735 -336464.1932 23301.5282 0.0000 0.0000 44987.7176 -222447.0587 163.6530 -267434.7762 -222057.9796 163.6530 -2090.2099 -2206.4399 921491.4634 -2090.2099 -2206.4399
ENERGY: 445 20125.5607 19307.2522 5723.6513 195.6942 -335759.3922 23283.8144 0.0000 0.0000 44708.7154 -222414.7041 162.6380 -267123.4195 -222046.5427 162.6380 -1846.9625 -2201.6925 921491.4634 -1846.9625 -2201.6925
ENERGY: 446 19947.6804 19324.9009 5722.5430 194.3235 -335494.5714 23276.0456 0.0000 0.0000 44620.2943 -222408.7838 162.3164 -267029.0781 -222046.1619 162.3164 -1800.7518 -2216.7293 921491.4634 -1800.7518 -2216.7293
ENERGY: 447 19914.2849 19416.0212 5722.2107 191.8641 -335769.4404 23282.7463 0.0000 0.0000 44816.5083 -222425.8049 163.0301 -267242.3132 -222046.8342 163.0301 -1993.3112 -2253.0602 921491.4634 -1993.3112 -2253.0602
ENERGY: 448 20187.5923 19583.6800 5722.5764 188.5554 -336503.1799 23303.8909 0.0000 0.0000 45065.6668 -222451.2181 163.9365 -267516.8849 -222059.3477 163.9365 -2372.1877 -2303.7896 921491.4634 -2372.1877 -2303.7896
ENERGY: 449 20877.4060 19832.6985 5723.5712 184.8596 -337500.9067 23334.5927 0.0000 0.0000 45101.1671 -222446.6115 164.0657 -267547.7786 -222047.7095 164.0657 -2827.1080 -2356.1405 921491.4634 -2827.1080 -2356.1405
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 20108.1298 5724.4776 181.0898 -338419.3243 23364.6247 0.0000 0.0000 44854.3089 -222432.2083 163.1676 -267286.5172 -222048.7857 163.1676 -3116.6755 -2394.3894 921491.4634 -3116.6755 -2394.3894
ENERGY: 451 22355.5901 20357.7252 5724.7144 177.6517 -338952.0900 23381.8011 0.0000 0.0000 44542.6979 -222411.9096 162.0341 -266954.6075 -222048.8242 162.0341 -3074.2530 -2405.7795 921491.4634 -3074.2530 -2405.7795
ENERGY: 452 22246.2015 20536.0131 5723.8953 174.8859 -338927.1531 23378.0947 0.0000 0.0000 44452.9187 -222415.1439 161.7075 -266868.0626 -222059.6370 161.7075 -2659.9604 -2384.7566 921491.4634 -2659.9604 -2384.7566
ENERGY: 453 21399.8727 20641.1308 5722.2878 173.1350 -338392.7928 23354.5911 0.0000 0.0000 44683.7025 -222418.0729 162.5470 -267101.7755 -222043.5371 162.5470 -2048.3336 -2342.4666 921491.4634 -2048.3336 -2342.4666
ENERGY: 454 20248.3381 20654.1371 5720.2217 172.3637 -337567.1410 23320.6905 0.0000 0.0000 45008.1459 -222443.2441 163.7273 -267451.3900 -222041.8391 163.7273 -1453.4576 -2293.1449 921491.4634 -1453.4576 -2293.1449
ENERGY: 455 19486.7905 20584.7118 5718.4844 172.5169 -336790.6450 23290.4026 0.0000 0.0000 45086.5785 -222451.1603 164.0126 -267537.7388 -222040.8569 164.0126 -1151.8822 -2255.8570 921491.4634 -1151.8822 -2255.8570
ENERGY: 456 19493.3721 20440.6798 5717.7556 173.4249 -336350.1074 23274.9634 0.0000 0.0000 44811.4724 -222438.4393 163.0118 -267249.9117 -222055.3483 163.0118 -1305.5002 -2245.5821 921491.4634 -1305.5002 -2245.5821
ENERGY: 457 20047.4931 20251.9434 5718.5580 174.9241 -336395.8167 23277.8277 0.0000 0.0000 44521.8704 -222403.2000 161.9583 -266925.0704 -222049.4130 161.9583 -1906.4164 -2263.5011 921491.4634 -1906.4164 -2263.5011
ENERGY: 458 20585.8438 20019.2723 5720.7060 176.6081 -336835.0964 23294.7175 0.0000 0.0000 44632.7890 -222405.1596 162.3618 -267037.9486 -222051.2820 162.3618 -2684.6988 -2301.0426 921491.4634 -2684.6988 -2301.0426
ENERGY: 459 20903.4947 19784.9691 5724.0021 178.1985 -337468.1651 23318.6985 0.0000 0.0000 45113.9372 -222444.8650 164.1121 -267558.8022 -222053.1409 164.1121 -3350.5832 -2341.5795 921491.4634 -3350.5832 -2341.5795
TIMING: 460 CPU: 216.36, 0.458063/step Wall: 216.36, 0.458063/step, 0.00508959 hours remaining, 3224.242188 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 19597.9066 5728.0971 179.4910 -338014.3776 23341.8003 0.0000 0.0000 45423.8572 -222480.6114 165.2395 -267904.4687 -222064.6834 165.2395 -3669.8203 -2365.2412 921491.4634 -3669.8203 -2365.2412
ENERGY: 461 21862.8764 19507.1079 5732.5752 180.4333 -338251.6226 23355.3936 0.0000 0.0000 45154.6145 -222458.6218 164.2601 -267613.2362 -222058.0505 164.2601 -3556.1667 -2361.1800 921491.4634 -3556.1667 -2361.1800
ENERGY: 462 22264.2258 19487.8114 5736.4822 180.9531 -337988.7180 23351.1086 0.0000 0.0000 44559.9297 -222408.2072 162.0968 -266968.1369 -222056.7212 162.0968 -2954.8201 -2323.4251 921491.4634 -2954.8201 -2323.4251
ENERGY: 463 21821.1794 19513.9021 5738.9361 181.1160 -337284.1038 23326.9476 0.0000 0.0000 44313.4576 -222388.5650 161.2002 -266702.0226 -222054.6240 161.2002 -2012.4424 -2264.0779 921491.4634 -2012.4424 -2264.0779
ENERGY: 464 20535.2461 19559.9277 5739.2518 181.0096 -336389.3847 23291.1940 0.0000 0.0000 44654.0274 -222428.7282 162.4391 -267082.7555 -222058.5726 162.4391 -1050.9226 -2205.5269 921491.4634 -1050.9226 -2205.5269
ENERGY: 465 19322.7827 19631.8858 5737.2898 180.7155 -335701.1539 23259.7388 0.0000 0.0000 45094.5696 -222474.1717 164.0417 -267568.7412 -222052.9385 164.0417 -512.3346 -2174.4009 921491.4634 -512.3346 -2174.4009
ENERGY: 466 19088.4512 19708.3584 5733.2107 180.2808 -335443.7729 23245.0600 0.0000 0.0000 45020.7915 -222467.6203 163.7733 -267488.4118 -222052.9782 163.7733 -630.3314 -2182.6711 921491.4634 -630.3314 -2182.6711
ENERGY: 467 19841.8073 19783.1744 5727.6704 179.7757 -335721.0952 23249.4525 0.0000 0.0000 44523.6671 -222415.5479 161.9649 -266939.2150 -222054.3492 161.9649 -1393.6031 -2232.5925 921491.4634 -1393.6031 -2232.5925
ENERGY: 468 20761.8485 19845.4942 5721.5089 179.2779 -336451.5667 23265.8120 0.0000 0.0000 44291.6590 -222385.9661 161.1209 -266677.6251 -222056.3589 161.1209 -2508.6717 -2314.1342 921491.4634 -2508.6717 -2314.1342
ENERGY: 469 21236.3017 19910.2020 5715.6824 178.8504 -337458.3200 23284.3956 0.0000 0.0000 44720.3208 -222412.5671 162.6802 -267132.8879 -222046.0748 162.6802 -3596.7410 -2405.7975 921491.4634 -3596.7410 -2405.7975
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 5710.9491 178.5947 -338383.2504 23297.0666 0.0000 0.0000 45346.4581 -222466.1155 164.9580 -267812.5736 -222047.6087 164.9580 -4259.7000 -2477.6834 921491.4634 -4259.7000 -2477.6834
ENERGY: 471 21732.8678 20054.6832 5707.9626 178.5890 -338913.2447 23297.5078 0.0000 0.0000 45471.3373 -222470.2969 165.4122 -267941.6341 -222047.5358 165.4122 -4290.5688 -2504.3178 921491.4634 -4290.5688 -2504.3178
ENERGY: 472 22081.2362 20161.5548 5707.0091 178.9047 -338870.6761 23279.4484 0.0000 0.0000 45028.5302 -222433.9928 163.8014 -267462.5230 -222059.5057 163.8014 -3659.7364 -2479.9187 921491.4634 -3659.7364 -2479.9187
ENERGY: 473 21866.1362 20289.3422 5707.9843 179.6165 -338307.7185 23240.7356 0.0000 0.0000 44634.5180 -222389.3858 162.3681 -267023.9038 -222043.8538 162.3681 -2556.3619 -2408.1661 921491.4634 -2556.3619 -2408.1661
ENERGY: 474 20842.9702 20372.0982 5710.2160 180.7467 -337438.4546 23189.2340 0.0000 0.0000 44733.2315 -222409.9580 162.7272 -267143.1896 -222041.2618 162.7272 -1295.5527 -2316.2732 921491.4634 -1295.5527 -2316.2732
ENERGY: 475 19674.2078 20371.7670 5712.9876 182.2512 -336604.2308 23142.3809 0.0000 0.0000 45070.2148 -222450.4215 163.9531 -267520.6363 -222039.4528 163.9531 -344.6452 -2232.2130 921491.4634 -344.6452 -2232.2130
ENERGY: 476 19235.7862 20282.0272 5715.7683 184.0125 -336100.0903 23115.8458 0.0000 0.0000 45106.0642 -222460.5862 164.0835 -267566.6504 -222053.6138 164.0835 -92.4054 -2183.0658 921491.4634 -92.4054 -2183.0658
ENERGY: 477 19704.7252 20145.9812 5718.4976 185.9230 -336101.8792 23114.2931 0.0000 0.0000 44812.3215 -222420.1375 163.0149 -267232.4590 -222044.8411 163.0149 -667.4952 -2171.8234 921491.4634 -667.4952 -2171.8234
ENERGY: 478 20493.4779 19974.7639 5721.0254 187.7262 -336537.4042 23131.2452 0.0000 0.0000 44627.0340 -222402.1315 162.3409 -267029.1655 -222047.4107 162.3409 -1807.1611 -2198.7961 921491.4634 -1807.1611 -2198.7961
ENERGY: 479 21125.3060 19793.3959 5723.3295 189.2099 -337215.5845 23156.6763 0.0000 0.0000 44802.1586 -222425.5083 162.9779 -267227.6669 -222050.5460 162.9779 -3089.8523 -2246.7923 921491.4634 -3089.8523 -2246.7923
TIMING: 480 CPU: 225.51, 0.457491/step Wall: 225.51, 0.457491/step, 0.00254162 hours remaining, 3224.242188 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 190.1901 -337854.6791 23181.5110 0.0000 0.0000 45051.6823 -222458.7549 163.8856 -267510.4372 -222064.6208 163.8856 -4077.7331 -2291.4895 921491.4634 -4077.7331 -2291.4895
ENERGY: 481 22092.4855 19510.0439 5727.0953 190.6351 -338199.2486 23196.7951 0.0000 0.0000 45041.3376 -222440.8562 163.8480 -267482.1938 -222052.5264 163.8480 -4466.2397 -2305.6736 921491.4634 -4466.2397 -2305.6736
ENERGY: 482 22186.3468 19466.6800 5728.4964 190.3598 -338044.5423 23192.7466 0.0000 0.0000 44865.8528 -222414.0599 163.2096 -267279.9127 -222051.4111 163.2096 -4059.3100 -2278.0618 921491.4634 -4059.3100 -2278.0618
ENERGY: 483 21553.1412 19511.5751 5729.5660 189.3227 -337426.2190 23165.8732 0.0000 0.0000 44861.8979 -222414.8428 163.1953 -267276.7407 -222048.7671 163.1953 -2964.1723 -2216.4119 921491.4634 -2964.1723 -2216.4119
ENERGY: 484 20460.8923 19631.1944 5730.2465 187.5455 -336590.8889 23126.1344 0.0000 0.0000 45003.6043 -222451.2716 163.7107 -267454.8759 -222059.8741 163.7107 -1565.2425 -2143.1852 921491.4634 -1565.2425 -2143.1852
ENERGY: 485 19688.7718 19800.2995 5730.5256 185.2458 -335902.5871 23092.8463 0.0000 0.0000 44955.5735 -222449.3245 163.5360 -267404.8980 -222045.9605 163.5360 -422.1569 -2086.8737 921491.4634 -422.1569 -2086.8737
ENERGY: 486 19602.5426 19954.8179 5729.7198 182.4662 -335612.3572 23080.3801 0.0000 0.0000 44645.9125 -222416.5181 162.4096 -267062.4306 -222044.6759 162.4096 87.3180 -2070.0983 921491.4634 87.3180 -2070.0983
ENERGY: 487 19881.0926 20072.0215 5727.4348 179.4360 -335846.4487 23091.0539 0.0000 0.0000 44503.3501 -222392.0598 161.8910 -266895.4100 -222045.2406 161.8910 -192.2348 -2106.8841 921491.4634 -192.2348 -2106.8841
ENERGY: 488 20125.2099 20156.1362 5723.5441 176.4338 -336552.5459 23118.8612 0.0000 0.0000 44827.0565 -222425.3041 163.0685 -267252.3606 -222057.1938 163.0685 -1145.7536 -2194.6681 921491.4634 -1145.7536 -2194.6681
ENERGY: 489 20526.8872 20236.4608 5718.5749 173.8639 -337540.4662 23156.7307 0.0000 0.0000 45266.1014 -222461.8473 164.6656 -267727.9486 -222045.6085 164.6656 -2511.2407 -2316.7067 921491.4634 -2511.2407 -2316.7067
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 490 21410.7492 20292.9019 5712.8912 171.8438 -338458.1368 23196.4876 0.0000 0.0000 45213.5637 -222459.6993 164.4745 -267673.2630 -222048.2207 164.4745 -3823.4040 -2437.4155 921491.4634 -3823.4040 -2437.4155
ENERGY: 491 22430.4644 20312.1357 5707.3795 170.5404 -338984.5800 23226.0937 0.0000 0.0000 44733.0095 -222404.9568 162.7264 -267137.9663 -222049.4638 162.7264 -4629.6935 -2524.6215 921491.4634 -4629.6935 -2524.6215
ENERGY: 492 22612.9551 20289.6806 5702.9944 170.0208 -338937.5822 23232.7207 0.0000 0.0000 44542.1955 -222387.0151 162.0323 -266929.2106 -222060.3860 162.0323 -4606.8524 -2557.4729 921491.4634 -4606.8524 -2557.4729
ENERGY: 493 21558.2189 20260.7370 5700.7779 170.3200 -338358.0639 23214.0539 0.0000 0.0000 45033.8235 -222420.1326 163.8207 -267453.9560 -222046.5901 163.8207 -3796.3817 -2540.0995 921491.4634 -3796.3817 -2540.0995
ENERGY: 494 20068.3365 20225.0259 5700.9806 171.2193 -337454.3840 23183.0799 0.0000 0.0000 45622.2479 -222483.4939 165.9612 -268105.7418 -222044.0867 165.9612 -2500.8990 -2482.1067 921491.4634 -2500.8990 -2482.1067
ENERGY: 495 19383.2462 20186.8300 5703.5926 172.5416 -336566.9891 23159.4630 0.0000 0.0000 45484.1231 -222477.1925 165.4587 -267961.3156 -222041.5563 165.4587 -1249.6834 -2407.3054 921491.4634 -1249.6834 -2407.3054
ENERGY: 496 19722.4834 20130.6474 5708.0350 174.0933 -335998.7156 23154.2642 0.0000 0.0000 44699.5267 -222409.6655 162.6046 -267109.1922 -222049.0666 162.6046 -478.8994 -2343.4747 921491.4634 -478.8994 -2343.4747
ENERGY: 497 20212.6669 20059.9180 5713.4613 175.7242 -335952.5044 23166.3553 0.0000 0.0000 44261.0282 -222363.3506 161.0095 -266624.3788 -222042.7496 161.0095 -421.0228 -2316.7924 921491.4634 -421.0228 -2316.7924
ENERGY: 498 20182.0165 19957.1221 5718.5596 177.2604 -336366.4936 23189.3594 0.0000 0.0000 44728.2527 -222413.9229 162.7091 -267142.1756 -222044.5215 162.7091 -993.4675 -2331.6468 921491.4634 -993.4675 -2331.6468
ENERGY: 499 20158.0678 19847.7315 5722.4089 178.6361 -337058.4827 23219.2413 0.0000 0.0000 45439.2635 -222493.1335 165.2956 -267932.3970 -222047.2058 165.2956 -2020.8683 -2376.3386 921491.4634 -2020.8683 -2376.3386
Info: Benchmark time: 4 CPUs 0.457309 s/step 5.29292 days/ns 3224.24 MB memory
TIMING: 500 CPU: 234.588, 0.453906/step Wall: 234.588, 0.453906/step, 0 hours remaining, 3224.242188 MB of memory in use.
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP POTENTIAL TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 500 20974.8938 19756.6591 5724.4523 179.8271 -337741.4199 23251.1018 0.0000 0.0000 45359.0766 -222495.4091 165.0039 -267854.4857 -222061.0909 165.0039 -3197.5165 -2425.4139 921491.4634 -3197.5165 -2425.4139
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, 3229.180 MB of memory in use
WRITING VELOCITIES TO OUTPUT FILE AT STEP 500
The last velocity output (seq=-2) takes 0.002 seconds, 3229.180 MB of memory in use
====================================================
WallClock: 241.760880 CPUTime: 241.760880 Memory: 3229.179688 MB
[Partition 0][Node 0] End of program
Application 1111733 resources: utime ~949s, stime ~20s, Rss ~126640, inblocks ~66548, outblocks ~71876
Displaying status file:
verified
/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0
WALL=241.760880
CPU=241.760880
MEM=3229.179688
total 744
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 02:51 cputime
-rwxr-xr-x 1 bwjenkins BW_System 19 Dec 20 02:51 memory
-rwxr-xr-x 1 bwjenkins BW_System 18 Dec 20 02:51 wallclock
-rwxr-xr-x 1 bwjenkins BW_System 9 Dec 20 02:50 status
-rwxr-xr-x 1 bwjenkins BW_System 189498 Dec 20 02:50 test.log
-rwxr-xr-x 1 bwjenkins BW_System 505299 Dec 20 02:46 build.log
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 02:45 bin
drwxr-xr-x 11 bwjenkins BW_System 4096 Dec 20 02:35 NAMD_2.10_Source
drwxr-xr-x 5 bwjenkins BW_System 4096 Dec 20 02:23 man
drwxr-xr-x 2 bwjenkins BW_System 4096 Dec 20 02:23 include
drwxr-xr-x 4 bwjenkins BW_System 4096 Dec 20 02:23 lib
-rwxr-xr-x 1 bwjenkins BW_System 1987 Dec 20 02:21 build-notes
-rwxr-xr-x 1 bwjenkins BW_System 4016 Dec 20 02:21 rebuild
lrwxrwxrwx 1 bwjenkins BW_System 7 Dec 20 02:21 relink -> rebuild
-rwxr-xr-x 1 bwjenkins BW_System 761 Dec 20 02:21 remodule
-rwxr-xr-x 1 bwjenkins BW_System 2926 Dec 20 02:21 retest
drwxr-xr-x 12 bwjenkins BW_System 4096 Sep 8 2010 tcl8.5.9
[SSH] completed
[SSH] exit-status: 0
[workspace] $ /bin/sh -xe /tmp/jenkins16508774919211708909.sh
+ rm -rf /var/lib/jenkins/jobs/NAMD/workspace/cputime /var/lib/jenkins/jobs/NAMD/workspace/memory /var/lib/jenkins/jobs/NAMD/workspace/namd /var/lib/jenkins/jobs/NAMD/workspace/wallclock
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/cputime /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/memory /var/lib/jenkins/jobs/NAMD/workspace
+ scp JYC_REMOTE:/scratch/system/bwjenkins/tests/namd/2.10/cle5.2_gnu5.1.0/wallclock /var/lib/jenkins/jobs/NAMD/workspace
Recording plot data
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/wallclock
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/cputime
Saving plot series data from: /var/lib/jenkins/jobs/NAMD/workspace/memory
Finished: SUCCESS
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
