BEGIN_DIRECT_NEMD
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.36 | 4.36 | 4.36 Mbytes
   Step          Time         Atoms         Temp           c_Th           c_Tc          PotEng         KinEng         TotEng       f_hotbath      f_coldbath      Ecouple       Econserve          Lx             Ly             Lz      
         0  0       2048  296.3922479900911 294.5075161937006 296.4520958440792 -9402.285064615226 78.42406003689781 -9323.861004578328 7.966873913068376e-21 -6.206806635313059e-19 -6.127137896182375e-19 -9323.861004578328 21.72 21.72 86.88
      1000  1       2048  299.5578140189015 355.984144348055 269.3014892317801 -9401.828414646841 79.26165461630292 -9322.566760030539 -4.303619895109245 3.00888382497665 -1.294736070132595 -9323.861496100672 21.72 21.72 86.88
      2000  2       2048  304.5020821129344 322.1943916226949 265.2627582018224 -9401.950826350345 80.56988578791545 -9321.380940562429 -6.928273681865419 4.452347808267366 -2.475925873598053 -9323.856866436026 21.72 21.72 86.88
      3000  3       2048  299.1727044231341 305.9873703952855 285.0757344757485 -9402.390551873857 79.1597563437804 -9323.230795530077 -7.909527217562383 7.282271496084451 -0.6272557214779315 -9323.858051251555 21.72 21.72 86.88
      4000  4       2048  300.3679213253156 308.8114817444583 278.601178236633 -9402.068211724967 79.47600537771915 -9322.592206347248 -12.49603997796947 11.2291622664264 -1.266877711543069 -9323.859084058791 21.72 21.72 86.88
      5000  5       2048  287.3689652353003 311.0811506948978 297.7097354279758 -9400.71014222641 76.03653987302606 -9324.673602353383 -14.57662770029553 15.39289354179471 0.8162658414991739 -9323.857336511885 21.72 21.72 86.88
      6000  6       2048  295.6527126951948 303.0861187328026 270.7319881529331 -9402.056958177898 78.2283823133418 -9323.828575864556 -16.58684579000987 16.55873494834962 -0.02811084166024358 -9323.856686706216 21.72 21.72 86.88
      7000  7       2048  296.7201549668506 315.8574224506362 285.3504347651719 -9399.373000361857 78.51082275288074 -9320.862177608977 -20.79370597052228 17.80298980415266 -2.990716166369626 -9323.852893775347 21.72 21.72 86.88
      8000  8       2048  298.0999534986059 299.458753112579 267.6283510046184 -9400.249682390324 78.8759112584911 -9321.373771131834 -23.95441510329652 21.47674365328349 -2.477671450013023 -9323.851442581847 21.72 21.72 86.88
      9000  9       2048  302.7472719482836 340.3303211682345 307.6212318231599 -9401.062792511104 80.10557088548748 -9320.957221625617 -28.15544184603648 25.26035082800831 -2.895091018028175 -9323.852312643645 21.72 21.72 86.88
     10000  10       2048  296.8670325024994 333.9139032475536 259.4731317897777 -9401.745072769017 78.54968589033425 -9323.195386878684 -30.08932576674772 29.43041408123003 -0.6589116855176869 -9323.854298564202 21.72 21.72 86.88
     11000  11       2048  299.0314633355084 308.8687681064976 267.6051890908849 -9401.736585241968 79.12238458520459 -9322.614200656764 -33.55301224092047 32.31178326925497 -1.241228971665493 -9323.855429628429 21.72 21.72 86.88
     12000  12       2048  303.8755788713123 355.0167894015017 294.7209279882715 -9400.269446026647 80.40411583891219 -9319.865330187735 -38.76615433557921 34.77360015994674 -3.992554175632471 -9323.857884363368 21.72 21.72 86.88
     13000  13       2048  295.4886204295314 316.2992290515464 284.4650203179977 -9400.598685805337 78.18496423550323 -9322.413721569834 -39.27009003047851 37.82689056143349 -1.44319946904502 -9323.85692103888 21.72 21.72 86.88
     14000  14       2048  302.7000073107387 293.004552835214 279.7474070608935 -9400.937139088317 80.09306487428918 -9320.844074214028 -43.40438620944113 40.39615610193965 -3.008230107501483 -9323.85230432153 21.72 21.72 86.88
     15000  15       2048  310.756479817611 308.8321535954982 273.1118867354351 -9401.937722426734 82.22477138095091 -9319.712951045783 -46.69867829862449 42.55837109557318 -4.140307203051314 -9323.853258248835 21.72 21.72 86.88
     16000  16       2048  309.0546137442273 353.5264924341934 299.2880005475952 -9398.894569009171 81.77446524771405 -9317.120103761457 -52.19945751060481 45.46655487914415 -6.732902631460661 -9323.853006392917 21.72 21.72 86.88
     17000  17       2048  292.5986152175188 315.7870007520764 265.0509100429204 -9400.346737802896 77.42028181283274 -9322.926455990064 -52.05682969031876 51.12764268964459 -0.929187000674176 -9323.855642990738 21.72 21.72 86.88
     18000  18       2048  292.0761553530126 322.7121653554 263.4366654728616 -9403.289515764343 77.28204127496859 -9326.007474489375 -54.18737210135071 56.33379127229451 2.146419170943801 -9323.861055318432 21.72 21.72 86.88
     19000  19       2048  298.5897320561609 353.3539006224667 266.884936900478 -9402.534050560294 79.00550446905227 -9323.528546091242 -57.95561726171533 57.62930977424349 -0.326307487471837 -9323.854853578714 21.72 21.72 86.88
     20000  20       2048  296.3520510949404 358.5015562423058 260.0217538612081 -9403.94946616057 78.41342411865104 -9325.536042041918 -58.62586108033566 60.30768667641073 1.681825596075072 -9323.854216445843 21.72 21.72 86.88
     21000  21       2048  294.0039871463916 339.4908603771731 279.8341710309949 -9403.293009072517 77.7921369246701 -9325.500872147846 -61.68960000154146 63.33353249523866 1.6439324936972 -9323.85693965415 21.72 21.72 86.88
     22000  22       2048  296.7708472451396 325.4145082409837 274.4314681305016 -9403.036743342614 78.52423570245315 -9324.512507640162 -64.51923241918865 65.17647099705641 0.6572385778677585 -9323.855269062295 21.72 21.72 86.88
     23000  23       2048  283.9723866941018 305.9496645538705 244.7935282456816 -9402.130362771553 75.13782041851491 -9326.992542353039 -66.48267534981596 69.61959870146786 3.136923351651902 -9323.855619001386 21.72 21.72 86.88
     24000  24       2048  293.5659975683122 322.6772782073959 268.1194676961957 -9403.763769867324 77.6762468458986 -9326.087523021426 -69.97785664139045 72.20194067085404 2.224084029463597 -9323.863438991963 21.72 21.72 86.88
     25000  25       2048  292.9927639694923 308.3954821041979 258.6483273016046 -9401.691878468346 77.52457180556313 -9324.167306662783 -75.51432096444439 75.82042657978835 0.3061056153439523 -9323.861201047439 21.72 21.72 86.88
     26000  26       2048  303.7854580056829 339.1940725673439 254.5539694925843 -9401.818348582146 80.38027026189515 -9321.43807832025 -79.43537341157439 77.01370595919116 -2.421667452383232 -9323.859745772634 21.72 21.72 86.88
     27000  27       2048  303.1286185265917 327.7433258376049 279.0461245416329 -9399.845041893055 80.20647348046052 -9319.638568412594 -82.53259882505934 78.32137251669906 -4.211226308360281 -9323.849794720954 21.72 21.72 86.88
     28000  28       2048  301.9356116732516 316.8340608112412 263.3493443736007 -9401.982359828362 79.89080921553717 -9322.091550612824 -83.64540899430665 81.88093591751854 -1.764473076788107 -9323.856023689612 21.72 21.72 86.88
     29000  29       2048  301.8621402557937 320.7812410773458 285.3490562360624 -9401.856425753613 79.87136900786378 -9321.985056745749 -87.87430671787169 86.00407230656938 -1.870234411302306 -9323.855291157051 21.72 21.72 86.88
     30000  30       2048  309.9538449016308 324.1323207358377 284.4856265492868 -9400.4279875471 82.01239778054337 -9318.415589766557 -92.39465381266146 86.9610355133927 -5.433618299268758 -9323.849208065825 21.72 21.72 86.88
     31000  31       2048  300.4156770752731 340.6763473679807 262.1457921840915 -9399.723341185721 79.48864133506005 -9320.234699850662 -96.04342078918378 92.42152881920626 -3.621891969977526 -9323.856591820639 21.72 21.72 86.88
     32000  32       2048  307.5531185212391 322.0592564686156 284.410122115942 -9399.53386777085 81.37717634319223 -9318.156691427657 -99.02686395150408 93.332184733131 -5.694679218373082 -9323.851370646031 21.72 21.72 86.88
     33000  33       2048  305.6500490551811 344.1750784042264 286.2480366830648 -9402.378463301633 80.87363269428576 -9321.504830607348 -100.3046578036487 97.95003367245154 -2.35462413119717 -9323.859454738546 21.72 21.72 86.88
     34000  34       2048  307.3852901869446 313.1064747809238 305.9406404757592 -9401.084648115666 81.33276971834336 -9319.751878397323 -103.6575171122096 99.55270980480785 -4.104807307401799 -9323.856685704724 21.72 21.72 86.88
     35000  35       2048  292.7394512671207 297.9686238414665 283.3340933245894 -9399.995504716497 77.45754640016332 -9322.537958316334 -105.5770942137292 104.2655713867221 -1.311522827007011 -9323.849481143341 21.72 21.72 86.88
     36000  36       2048  311.3702811876184 312.844713963428 310.8172949343652 -9399.507794054249 82.38718047166978 -9317.12061358258 -111.227320211128 104.495252589399 -6.732067621729016 -9323.852681204309 21.72 21.72 86.88
     37000  37       2048  307.1535912214335 334.2121631314042 260.3756900895651 -9401.850167350256 81.27146321081845 -9320.578704139438 -114.7576051041714 111.4846068463826 -3.272998257788785 -9323.851702397227 21.72 21.72 86.88
     38000  38       2048  306.7385116641093 318.9439015181802 304.2425930991308 -9398.369666679586 81.16163502082892 -9317.208031658756 -118.8323356256682 112.191901442533 -6.640434183135199 -9323.848465841891 21.72 21.72 86.88
     39000  39       2048  310.4295598914545 357.588721387957 295.997511154835 -9399.031292733356 82.1382698341324 -9316.893022899223 -123.4341554432719 116.4739341076909 -6.960221335581053 -9323.853244234804 21.72 21.72 86.88
     40000  40       2048  309.5204217892696 311.3976201010119 278.0764685889133 -9401.059987124523 81.89771596812858 -9319.162271156394 -125.3110428759866 120.6208296690381 -4.690213206948528 -9323.852484363342 21.72 21.72 86.88
     41000  41       2048  302.9981717904586 322.0293493577676 280.895670185792 -9400.945104717623 80.17195785889656 -9320.773146858726 -129.2729470557859 126.1887967912735 -3.084150264512388 -9323.857297123239 21.72 21.72 86.88
     42000  42       2048  306.0293851740845 310.7717633402799 277.0992355513574 -9401.560742319705 80.9740033307136 -9320.586738988992 -133.6308301983484 130.363350701928 -3.26747949642035 -9323.854218485412 21.72 21.72 86.88
     43000  43       2048  302.6891800020119 326.0232012999079 247.1879487665798 -9401.270041563104 80.09020001694091 -9321.179841546164 -137.4037886453884 134.727633449583 -2.676155195805421 -9323.85599674197 21.72 21.72 86.88
     44000  44       2048  293.4916897428436 310.2640602867675 266.2504443056617 -9397.475651081841 77.65658532841536 -9319.819065753425 -142.102036170574 138.0704625456528 -4.031573624921208 -9323.850639378346 21.72 21.72 86.88
     45000  45       2048  299.9329969981503 329.3394032883982 278.7755531457561 -9398.787146040882 79.36092635059742 -9319.426219690286 -145.9073701390071 141.4806542940522 -4.426715844954941 -9323.85293553524 21.72 21.72 86.88
     46000  46       2048  307.2984506282316 346.7888135440969 275.5630624128203 -9400.210079487508 81.30979236042573 -9318.900287127082 -148.7893972172639 143.8378598151564 -4.951537402107476 -9323.851824529189 21.72 21.72 86.88
     47000  47       2048  306.1123349089177 348.7199604938854 279.4150954924807 -9401.712056641707 80.99595145867146 -9320.716105183035 -152.2616118206078 149.125708928725 -3.135902891882722 -9323.852008074919 21.72 21.72 86.88
     48000  48       2048  307.1473566105639 339.7133597096501 272.170582723052 -9402.377412732882 81.26981356073328 -9321.107599172148 -153.8111668429655 151.064093233803 -2.747073609162442 -9323.85467278131 21.72 21.72 86.88
     49000  49       2048  303.0685292211865 341.6512544863128 277.6392335615222 -9402.281600215836 80.19057411964177 -9322.091026096194 -156.3747400849819 154.6116939449672 -1.763046140014694 -9323.854072236209 21.72 21.72 86.88
     50000  50       2048  299.6455305191198 327.5073662147065 259.1988691961635 -9399.000184281807 79.28486400901137 -9319.715320272797 -161.711133332512 157.5781968175612 -4.132936514950785 -9323.848256787747 21.72 21.72 86.88
Loop time of 31.7027 on 1 procs for 50000 steps with 2048 atoms

Performance: 136.266 ns/day, 0.176 hours/ns, 1577.154 timesteps/s, 3.230 Matom-step/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.3418     | 2.3418     | 2.3418     |   0.0 |  7.39
Neigh   | 0.70804    | 0.70804    | 0.70804    |   0.0 |  2.23
Comm    | 5.3729     | 5.3729     | 5.3729     |   0.0 | 16.95
Output  | 0.15585    | 0.15585    | 0.15585    |   0.0 |  0.49
Modify  | 19.555     | 19.555     | 19.555     |   0.0 | 61.68
Other   |            | 3.569      |            |       | 11.26

Nlocal:           2048 ave        2048 max        2048 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1769 ave        1769 max        1769 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:         8212 ave        8212 max        8212 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8212
Ave neighs/atom = 4.0097656
Neighbor list builds = 2269
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:35
