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  290.6920265787903 303.388072446936 273.7539306946248 -9400.821396136729 76.91580700661474 -9323.905589130114 -6.098739378206099e-18 -2.290718109309978e-18 -8.389457487516077e-18 -9323.905589130114 21.72 21.72 86.88
      1000  1       2048  297.1019593281862 320.805030254077 265.0600976553217 -9401.857510384945 78.61184647519056 -9323.245663909755 -4.230447283903747 3.57168121651787 -0.6587660673858777 -9323.904429977141 21.72 21.72 86.88
      2000  2       2048  296.6913891831859 341.4771871249512 307.9781263528457 -9401.018736608956 78.50321145548538 -9322.515525153471 -5.114447542703116 3.722512720991221 -1.391934821711895 -9323.907459975182 21.72 21.72 86.88
      3000  3       2048  294.5692740087201 313.242507284314 299.8078025622526 -9399.369008588037 77.94170929415665 -9321.42729929388 -8.327226895092171 5.848696735876866 -2.478530159215305 -9323.905829453095 21.72 21.72 86.88
      4000  4       2048  292.0563538022337 321.7460993075997 269.1777510663998 -9400.480676159688 77.27680187340653 -9323.203874286282 -10.65383763414203 9.953506341181793 -0.7003312929602394 -9323.904205579243 21.72 21.72 86.88
      5000  5       2048  289.7608402840781 288.0415234809058 265.9227430033883 -9399.763696537482 76.66941928771433 -9323.094277249767 -14.01498771470605 13.20487794662411 -0.8101097680819418 -9323.90438701785 21.72 21.72 86.88
      6000  6       2048  298.2826331025677 317.6495101308556 257.574591394703 -9401.735993312948 78.92424746271293 -9322.811745850235 -17.80768276858405 16.71435878469423 -1.093323983889821 -9323.905069834125 21.72 21.72 86.88
      7000  7       2048  293.6835109304346 348.2025462047434 265.9384654731558 -9399.633095632993 77.70734035468205 -9321.925755278311 -21.5664689117991 19.59163723762861 -1.974831674170485 -9323.900586952481 21.72 21.72 86.88
      8000  8       2048  303.3214293682216 330.1515204942497 290.8494550963481 -9401.505183549434 80.25749036474912 -9321.247693184685 -25.63997662404815 22.9782139743343 -2.661762649713847 -9323.909455834399 21.72 21.72 86.88
      9000  9       2048  298.4767318680379 319.9408331033848 297.0947505511591 -9402.444660608193 78.97560512587567 -9323.469055482317 -25.45434728805982 25.01441686087117 -0.4399304271886493 -9323.908985909506 21.72 21.72 86.88
     10000  10       2048  302.0980224791944 322.0593390382184 293.7170374622027 -9402.249096523941 79.93378238667194 -9322.31531413727 -28.80980009462179 27.2146595058463 -1.595140588775497 -9323.910454726045 21.72 21.72 86.88
     11000  11       2048  292.3269103262443 291.4267732957427 253.2942391323679 -9403.090453387642 77.34838991670478 -9325.742063470938 -29.60794831892223 31.43716898822134 1.829220669299115 -9323.912842801639 21.72 21.72 86.88
     12000  12       2048  299.2477050264449 310.8413736370914 259.2772847023597 -9401.889867782829 79.17960116717487 -9322.710266615655 -34.43218808435482 33.23377508708467 -1.198412997270154 -9323.908679612925 21.72 21.72 86.88
     13000  13       2048  298.5748641397137 294.7588784266325 287.593476215985 -9401.897564633517 79.00157048501596 -9322.895994148501 -37.25914162778228 36.24345563189569 -1.015685995886599 -9323.911680144387 21.72 21.72 86.88
     14000  14       2048  305.3029935648255 312.5868565340735 292.193022797948 -9403.192933075008 80.78180336745163 -9322.411129707556 -42.23079643266311 40.73621742629054 -1.494579006372561 -9323.905708713928 21.72 21.72 86.88
     15000  15       2048  293.8935253483098 307.9903176112342 274.6127587907444 -9401.875393503124 77.76290922811833 -9324.112484275005 -44.57330142045356 44.77178097725252 0.1984795567989579 -9323.914004718206 21.72 21.72 86.88
     16000  16       2048  302.0796777960802 288.9635390311597 261.3835155691976 -9402.174023803547 79.92892846576254 -9322.245095337785 -47.94204711849596 46.27300567079305 -1.669041447702909 -9323.914136785488 21.72 21.72 86.88
     17000  17       2048  302.2383711809469 310.244742245133 296.8093436968991 -9400.435736469852 79.97091802394645 -9320.464818445906 -52.22087092331733 48.77198072773013 -3.448890195587197 -9323.913708641492 21.72 21.72 86.88
     18000  18       2048  293.7356579723338 319.3450046854588 262.6376351018331 -9401.844455356386 77.72113822818375 -9324.123317128202 -54.56875363711845 54.77757059569387 0.2088169585754187 -9323.914500169627 21.72 21.72 86.88
     19000  19       2048  296.2147743249955 311.5260550530703 287.3954776566435 -9401.089417094558 78.3771013007608 -9322.712315793797 -56.34526038231574 55.14357976278625 -1.201680619529498 -9323.913996413326 21.72 21.72 86.88
     20000  20       2048  300.5257552910132 312.8960055992829 274.8071219520477 -9403.104402304603 79.51776753744389 -9323.58663476716 -59.00237605721502 58.67329782106129 -0.3290782361537339 -9323.915713003315 21.72 21.72 86.88
     21000  21       2048  301.370363987692 306.1211789482306 259.6164033687761 -9403.344935175208 79.74124721204805 -9323.603687963159 -62.00937523211586 61.69732578137627 -0.3120494507395932 -9323.915737413899 21.72 21.72 86.88
     22000  22       2048  296.3905138924935 337.1168466401606 270.0765430408518 -9399.564097109711 78.42360120244776 -9321.140495907262 -66.85102894479643 64.08240339570335 -2.768625549093073 -9323.909121456356 21.72 21.72 86.88
     23000  23       2048  294.4535659890326 328.2725048256931 264.2147023237106 -9401.49473251641 77.91109347088781 -9323.583639045522 -68.73137891369544 68.40976646381789 -0.3216124498775486 -9323.9052514954 21.72 21.72 86.88
     24000  24       2048  291.266906684973 312.8863400895631 270.2587375941988 -9402.711197120196 77.06791770541682 -9325.643279414779 -68.31129813458845 70.04534856189346 1.734050427305007 -9323.909228987473 21.72 21.72 86.88
     25000  25       2048  300.8177474844067 285.5059967628731 271.5616749938529 -9401.415142052843 79.59502736276076 -9321.820114690083 -74.85100005423004 72.76722006749549 -2.083779986734555 -9323.903894676818 21.72 21.72 86.88
     26000  26       2048  295.7989611160888 311.3802861302638 255.2601397619387 -9400.428498696881 78.26707898985163 -9322.16141970703 -77.29168683310628 75.55182681135716 -1.739860021749124 -9323.90127972878 21.72 21.72 86.88
     27000  27       2048  303.678178661259 339.1571302235482 266.3293612832601 -9401.940519916563 80.35188462831375 -9321.58863528825 -81.87515064386699 79.55768908450982 -2.31746155935717 -9323.906096847608 21.72 21.72 86.88
     28000  28       2048  304.7176117872999 330.1650415022599 266.442475079736 -9403.52137128235 80.62691397349316 -9322.894457308857 -84.99436420337383 83.98519285038599 -1.009171352987849 -9323.903628661845 21.72 21.72 86.88
     29000  29       2048  298.2935046679169 360.8575031624767 282.166527786423 -9401.438818999537 78.92712403016509 -9322.511694969371 -90.16254677825107 88.76935127894531 -1.393195499305762 -9323.904890468677 21.72 21.72 86.88
     30000  30       2048  294.8338856039034 348.3890800324979 259.924427933877 -9402.482892706465 78.01172433593942 -9324.471168370525 -91.48949195051824 92.04922120199738 0.5597292514791405 -9323.911439119045 21.72 21.72 86.88
     31000  31       2048  297.8288569391379 313.5043829228766 273.6602868474728 -9401.788952680567 78.80418032423191 -9322.984772356334 -94.09388090563411 93.16842192838264 -0.9254589772514663 -9323.910231333586 21.72 21.72 86.88
     32000  32       2048  303.6225890306939 329.5326741856324 294.3680905049705 -9402.985172439676 80.33717586128481 -9322.647996578391 -97.48286669055517 96.2199788428308 -1.262887847724372 -9323.910884426115 21.72 21.72 86.88
     33000  33       2048  295.3140089884733 332.6377417570178 256.7946547737318 -9401.891470250492 78.13876283101467 -9323.752707419477 -99.66829835028432 99.51093084338216 -0.1573675069021618 -9323.91007492638 21.72 21.72 86.88
     34000  34       2048  300.2988193329249 305.5670399458093 261.7127222562523 -9400.695402304924 79.45772130032961 -9321.237681004593 -103.3467181537165 100.6789815057759 -2.667736647940572 -9323.905417652533 21.72 21.72 86.88
     35000  35       2048  299.5265885477539 315.7958124386176 286.0406423013347 -9401.256439773555 79.25339249662683 -9322.003047276929 -106.9997113371729 105.0912836904467 -1.908427646726182 -9323.911474923654 21.72 21.72 86.88
     36000  36       2048  307.6651890012311 339.7751294136378 287.4222614457913 -9400.665573398206 81.4068296897654 -9319.25874370844 -112.8867368953385 108.2362717474921 -4.650465147846418 -9323.909208856287 21.72 21.72 86.88
     37000  37       2048  303.6591786086832 321.9943454305273 297.8082392626022 -9400.353809089098 80.34685729958295 -9320.006951789515 -115.0157863637607 111.1196342211784 -3.896152142582309 -9323.903103932098 21.72 21.72 86.88
     38000  38       2048  303.6355897381078 335.287300974248 296.5368591334972 -9401.074866632387 80.34061579018196 -9320.734250842204 -117.5997065458722 114.4255486134872 -3.174157932384929 -9323.908408774589 21.72 21.72 86.88
     39000  39       2048  303.9946221569502 314.0318346737849 276.1037891241374 -9401.24716692897 80.4356141585989 -9320.81155277037 -120.3022678543066 117.1976982847713 -3.104569569535258 -9323.916122339906 21.72 21.72 86.88
     40000  40       2048  309.9989338792849 356.2437588274819 273.967994485283 -9400.943412598665 82.02432812188843 -9318.919084476776 -124.3498104813161 119.3531675399613 -4.996642941354821 -9323.915727418131 21.72 21.72 86.88
     41000  41       2048  302.9849977744769 343.1784374278141 261.8630234052038 -9402.350556279987 80.16847207332935 -9322.182084206657 -125.6641701294233 123.9329666594456 -1.731203469977757 -9323.913287676634 21.72 21.72 86.88
     42000  42       2048  300.6706146349331 336.8676250066658 274.4084219445429 -9400.919503379571 79.55609667041385 -9321.363406709157 -128.8268475390921 126.2785432699444 -2.548304269147636 -9323.911710978306 21.72 21.72 86.88
     43000  43       2048  290.3596799499927 312.8359752750566 268.855229242513 -9399.90367770386 76.82786957860631 -9323.075808125253 -131.1893632065226 130.3525649870328 -0.8367982194897365 -9323.912606344744 21.72 21.72 86.88
     44000  44       2048  307.3446488514999 336.1826641844716 274.6953844968043 -9403.652995648878 81.32201620318732 -9322.330979445691 -135.6563207025342 134.0659981055538 -1.590322596980371 -9323.921302042671 21.72 21.72 86.88
     45000  45       2048  295.9823189142754 311.3945030682917 282.3889381371903 -9399.303537310596 78.31559464122486 -9320.987942669371 -140.5516042296593 137.6238011921558 -2.927803037503566 -9323.915745706876 21.72 21.72 86.88
     46000  46       2048  301.4988756791384 316.8975663614806 290.2465706879042 -9402.412198160633 79.77525082946308 -9322.63694733117 -142.6653765945366 141.3881086703311 -1.277267924205489 -9323.914215255376 21.72 21.72 86.88
     47000  47       2048  300.3097510029751 318.8317003281116 302.458212068297 -9400.400610069755 79.46061377121619 -9320.939996298539 -147.1223819389279 144.1484068811692 -2.973975057758651 -9323.913971356298 21.72 21.72 86.88
     48000  48       2048  296.3663689052426 336.9354241264252 281.8485371538935 -9401.962260559107 78.41721254706761 -9323.54504801204 -149.489275034671 149.1222349180677 -0.3670401166032775 -9323.912088128644 21.72 21.72 86.88
     49000  49       2048  293.8725109296972 345.9300388571849 292.0029339214682 -9399.876576454302 77.75734890716498 -9322.119227547137 -153.6059700517421 151.8163933247613 -1.789576726980812 -9323.908804274117 21.72 21.72 86.88
     50000  50       2048  297.3740560985124 317.9842345636141 302.0719042149443 -9402.073762642529 78.68384206075869 -9323.389920581771 -156.3552582789551 155.833915078834 -0.5213432001211231 -9323.911263781893 21.72 21.72 86.88
Loop time of 31.5432 on 1 procs for 50000 steps with 2048 atoms

Performance: 136.955 ns/day, 0.175 hours/ns, 1585.127 timesteps/s, 3.246 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    | 2.4296     | 2.4296     | 2.4296     |   0.0 |  7.70
Neigh   | 0.70903    | 0.70903    | 0.70903    |   0.0 |  2.25
Comm    | 5.3753     | 5.3753     | 5.3753     |   0.0 | 17.04
Output  | 0.15562    | 0.15562    | 0.15562    |   0.0 |  0.49
Modify  | 19.371     | 19.371     | 19.371     |   0.0 | 61.41
Other   |            | 3.503      |            |       | 11.10

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:         8218 ave        8218 max        8218 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 8218
Ave neighs/atom = 4.0126953
Neighbor list builds = 2255
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:35
