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       1024  264.5226648698702 257.827249861402 282.5422759013279 -4699.607852401172 34.97865949125374 -4664.629192909918 -1.064391887378439e-18 -2.276338184057471e-18 -3.34073007143591e-18 -4664.629192909918 21.72 21.72 43.44
      1000  1       1024  289.5717805202491 318.1754956745621 322.2171456016384 -4702.962288576231 38.29098241572856 -4664.671306160502 -3.360025086138031 3.401071515486021 0.04104642934799019 -4664.630259731154 21.72 21.72 43.44
      2000  2       1024  288.8240861900393 328.4364567573941 299.1051849806985 -4701.382019253626 38.19211245540657 -4663.189906798219 -6.485488518607684 5.045589962205599 -1.439898556402085 -4664.629805354622 21.72 21.72 43.44
      3000  3       1024  294.0927741756412 309.6730851941033 301.1349441701569 -4701.829740582954 38.88880754996374 -4662.940933032991 -8.868582259153147 7.179025550591751 -1.689556708561396 -4664.630489741552 21.72 21.72 43.44
      4000  4       1024  293.6836583762991 298.3795962250509 270.7350293639618 -4701.503029962607 38.83470888796545 -4662.668321074641 -10.45809397089698 8.492632244489615 -1.965461726407362 -4664.633782801049 21.72 21.72 43.44
      5000  5       1024  285.6787583790516 312.5444918547541 291.4928611438491 -4702.121315159113 37.77619591932059 -4664.345119239792 -12.23620029758352 11.95111491657502 -0.2850853810085034 -4664.630204620801 21.72 21.72 43.44
      6000  6       1024  287.1871206694244 320.2650589681525 249.4513858942506 -4702.811591182583 37.97565138363912 -4664.835939798944 -13.99635188988641 14.19787725112705 0.2015253612406429 -4664.634414437704 21.72 21.72 43.44
      7000  7       1024  289.1967020298509 287.9205063796438 257.4292301055769 -4701.738000411511 38.24138461357204 -4663.496615797939 -17.60931600242622 16.47821715665449 -1.131098845771731 -4664.627714643711 21.72 21.72 43.44
      8000  8       1024  299.419657095541 325.5849730642647 289.9033540893207 -4701.316568361024 39.59319794273637 -4661.723370418288 -21.43640502894381 18.53018356362204 -2.906221465321771 -4664.629591883609 21.72 21.72 43.44
      9000  9       1024  305.7291998720674 310.8329840770812 304.5085953989756 -4701.416550720458 40.42752852243996 -4660.989022198018 -23.46956993577326 19.8284576880907 -3.641112247682557 -4664.630134445701 21.72 21.72 43.44
     10000  10       1024  297.9031680160312 281.7060467011346 323.5068173131465 -4701.793159938268 39.39266784766692 -4662.400492090601 -25.14843219151861 22.91901190180138 -2.229420289717233 -4664.629912380318 21.72 21.72 43.44
     11000  11       1024  290.7583128843733 304.76637262893 280.5101059756534 -4699.719209506527 38.44788130210741 -4661.27132820442 -28.71597096106888 25.35881081618271 -3.357160144886169 -4664.628488349306 21.72 21.72 43.44
     12000  12       1024  290.8793676266537 276.7697162570412 237.7323307464392 -4701.255970875026 38.46388874937895 -4662.792082125647 -28.95577075032027 27.11723479608735 -1.838535954232917 -4664.630618079879 21.72 21.72 43.44
     13000  13       1024  303.7627730457105 311.9927047685956 286.2812473982495 -4702.271950821138 40.16750175154892 -4662.104449069589 -31.17676632693053 28.64985882740636 -2.526907499524167 -4664.631356569113 21.72 21.72 43.44
     14000  14       1024  294.1025227131358 301.2549881089107 328.3207258967542 -4700.23815467259 38.89009662957334 -4661.348058043017 -34.91215319795321 31.63154028845249 -3.280612909500721 -4664.628670952517 21.72 21.72 43.44
     15000  15       1024  287.3126924419454 313.3893084657523 223.2326419513205 -4701.951178240115 37.99225613195016 -4663.958922108165 -36.49237012681508 35.82073500540035 -0.6716351214147309 -4664.63055722958 21.72 21.72 43.44
     16000  16       1024  299.3444085890494 369.4494591606089 256.875961200785 -4703.119951723607 39.58324759732045 -4663.536704126287 -39.3109197022994 38.21639655563884 -1.094523146660556 -4664.631227272947 21.72 21.72 43.44
     17000  17       1024  292.3208386368794 336.2327270259131 275.1916987494981 -4701.945710291631 38.6544989704653 -4663.291211321166 -42.27124772066377 40.92831262144801 -1.342935099215765 -4664.634146420382 21.72 21.72 43.44
     18000  18       1024  295.2763000486307 301.9790144251161 287.0389992909114 -4701.215000857636 39.04530887861456 -4662.169691979022 -45.32475830636391 42.86716127902092 -2.457597027342992 -4664.627289006365 21.72 21.72 43.44
     19000  19       1024  290.6184817278312 316.6479364992815 272.9526065064683 -4700.262107359396 38.42939099083916 -4661.832716368557 -47.07172485839411 44.27643389160393 -2.795290966790176 -4664.628007335347 21.72 21.72 43.44
     20000  20       1024  298.0265736698412 336.5592869014723 279.1934508996242 -4702.716647563062 39.40898616332444 -4663.307661399737 -49.42261990288811 48.09892218730432 -1.323697715583783 -4664.631359115321 21.72 21.72 43.44
     21000  21       1024  298.1798109701411 367.5507031702383 251.4675848380294 -4702.18472915987 39.42924921092072 -4662.755479948949 -51.89191815135375 50.01978982770347 -1.87212832365028 -4664.627608272599 21.72 21.72 43.44
     22000  22       1024  295.9530052392934 345.8965376255676 278.9185439899301 -4702.318710121884 39.13479172293641 -4663.183918398947 -53.17847713971011 51.73497842246361 -1.443498717246499 -4664.627417116193 21.72 21.72 43.44
     23000  23       1024  284.6484284721683 294.2129500805539 264.4309845783047 -4701.801091019317 37.6399521725163 -4664.161138846801 -55.1831931618316 54.71676085765723 -0.4664323041743685 -4664.627571150975 21.72 21.72 43.44
     24000  24       1024  294.1830665411506 342.415562356206 259.9182763028048 -4701.915264807389 38.90074719191981 -4663.014517615469 -58.7722376213294 57.16058155170787 -1.611656069621525 -4664.626173685091 21.72 21.72 43.44
     25000  25       1024  311.2099144907785 315.455514893038 283.6774378318019 -4701.890611552652 41.15226056198349 -4660.738350990669 -61.77045383176277 57.87949879570991 -3.890955036052851 -4664.629306026722 21.72 21.72 43.44
     26000  26       1024  295.8663157873273 332.0076313414159 269.5373089658925 -4701.449484742756 39.12332850550929 -4662.326156237246 -63.67760601849638 61.37838256732894 -2.299223451167443 -4664.625379688414 21.72 21.72 43.44
     27000  27       1024  299.4108840191536 304.149656077428 306.8356137895317 -4700.858889712907 39.59203785140053 -4661.266851861506 -66.14705771952424 62.78848489408176 -3.358572825442479 -4664.625424686948 21.72 21.72 43.44
     28000  28       1024  288.7170017741493 285.5244635885323 280.7049509338167 -4700.432137270172 38.17795234809751 -4662.254184922074 -68.49592664611197 66.12471636243349 -2.371210283678479 -4664.625395205753 21.72 21.72 43.44
     29000  29       1024  302.7330048318215 318.2988602637701 279.8413104096291 -4702.950775630233 40.03133227916643 -4662.919443351067 -70.23807486112203 68.53012682003097 -1.707948041091058 -4664.627391392158 21.72 21.72 43.44
     30000  30       1024  293.8521927573949 317.4894322822083 276.3351496975471 -4701.503719158619 38.85699471640976 -4662.646724442209 -72.17219921290369 70.1903190567553 -1.981880156148392 -4664.628604598358 21.72 21.72 43.44
     31000  31       1024  294.6376849853813 286.2537068650561 297.2692511389923 -4701.204438721277 38.96086281099923 -4662.243575910278 -74.43523750324999 72.0516987503561 -2.383538752893898 -4664.627114663173 21.72 21.72 43.44
     32000  32       1024  298.8400781110518 321.1189767654441 272.6420213862633 -4702.190181243753 39.51655840050013 -4662.673622843253 -77.56549665452694 75.61342013206277 -1.952076522464168 -4664.625699365717 21.72 21.72 43.44
     33000  33       1024  303.7395429591224 373.7173884736703 257.6616649775133 -4700.261475520561 40.16442996452788 -4660.097045556034 -82.03451997206891 77.50597053398775 -4.528549438081157 -4664.625594994115 21.72 21.72 43.44
     34000  34       1024  296.4729116742777 322.9361668176522 244.5595655690146 -4700.715490340535 39.20354057727588 -4661.51194976326 -84.53865961334094 81.42790756989486 -3.110752043446084 -4664.622701806706 21.72 21.72 43.44
     35000  35       1024  286.0590322958582 287.1922008039653 290.6156649890133 -4702.095640819034 37.82648072896414 -4664.26916009007 -84.88064376656058 84.52462167688256 -0.3560220896780208 -4664.625182179748 21.72 21.72 43.44
     36000  36       1024  301.2734861135457 347.7310270663161 290.0134454695838 -4700.685118568845 39.83833555318533 -4660.84678301566 -89.33894903269676 85.55786800283984 -3.781081029856921 -4664.627864045517 21.72 21.72 43.44
     37000  37       1024  306.997035496032 347.9257832843039 259.6911558714057 -4700.438571513099 40.59517839321135 -4659.843393119888 -90.87850619632046 86.09647308383802 -4.782033112482438 -4664.62542623237 21.72 21.72 43.44
     38000  38       1024  306.5877659175567 326.6630729644791 268.8041044857005 -4702.254108906031 40.54105939651722 -4661.713049509514 -92.87882304301988 89.96438923394835 -2.914433809071525 -4664.627483318586 21.72 21.72 43.44
     39000  39       1024  288.9408439434802 274.4836456343236 286.0589566681469 -4701.086817233965 38.20755169840142 -4662.879265535564 -93.54434495910982 91.79729136329776 -1.747053595812062 -4664.626319131376 21.72 21.72 43.44
     40000  40       1024  290.9776677273802 298.2816110787069 252.6584109711736 -4702.03433052879 38.47688727921365 -4663.557443249576 -95.63992660681046 94.5691662361059 -1.070760370704562 -4664.62820362028 21.72 21.72 43.44
     41000  41       1024  294.4445952661046 333.5773310390842 301.8742694763088 -4700.888566966857 38.93532995336994 -4661.953237013488 -98.94134596679898 96.26602653748783 -2.675319429311145 -4664.628556442799 21.72 21.72 43.44
     42000  42       1024  310.1567548372685 344.8670889984191 325.6739756537082 -4702.059842534032 41.01299796636366 -4661.046844567669 -102.5457046108136 98.96380384684983 -3.581900763963773 -4664.628745331633 21.72 21.72 43.44
     43000  43       1024  299.2365633718054 326.0296884687506 283.3294244506606 -4699.650550852493 39.56898688686831 -4660.081563965625 -104.9978610334728 100.4546938684511 -4.543167165021728 -4664.624731130647 21.72 21.72 43.44
     44000  44       1024  294.0951524789901 316.9638299278909 273.3290723994728 -4699.765178049402 38.88912204045569 -4660.876056008947 -107.3544119109477 103.6060313458148 -3.748380565132862 -4664.624436574079 21.72 21.72 43.44
     45000  45       1024  285.695547780095 272.0630814788394 272.9572201455368 -4700.565408745795 37.77841603434342 -4662.786992711452 -107.7534953653824 105.9113630339398 -1.842132331442599 -4664.629125042894 21.72 21.72 43.44
     46000  46       1024  294.1488175540042 340.2804154381664 296.8368793871851 -4700.486342384995 38.89621834120713 -4661.590124043788 -110.389841216234 107.3548946547923 -3.034946561441657 -4664.62507060523 21.72 21.72 43.44
     47000  47       1024  301.5804309395272 313.5872798662821 261.4679205641926 -4703.689846464605 39.8789238277511 -4663.810922636853 -111.8772397347534 111.0600430229119 -0.8171967118414614 -4664.628119348695 21.72 21.72 43.44
     48000  48       1024  289.4471123021353 336.2869954836351 291.083048593121 -4700.602026640077 38.27449714724342 -4662.327529492834 -115.3986403318276 113.1038107522843 -2.29482957954329 -4664.622359072378 21.72 21.72 43.44
     49000  49       1024  292.5414703857492 313.9717728388597 291.5198472539 -4703.324078523444 38.68367379682838 -4664.640404726615 -116.3826037937493 116.3990326307494 0.01642883700012021 -4664.623975889615 21.72 21.72 43.44
     50000  50       1024  282.3387786377276 281.4468246433502 261.2098254703734 -4701.93927945963 37.33453994954979 -4664.60473951008 -118.2799454644705 118.2604032553928 -0.01954220907776971 -4664.624281719157 21.72 21.72 43.44
Loop time of 30.0269 on 1 procs for 50000 steps with 1024 atoms

Performance: 143.871 ns/day, 0.167 hours/ns, 1665.174 timesteps/s, 1.705 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    | 2.2713     | 2.2713     | 2.2713     |   0.0 |  7.56
Neigh   | 0.63285    | 0.63285    | 0.63285    |   0.0 |  2.11
Comm    | 5.1643     | 5.1643     | 5.1643     |   0.0 | 17.20
Output  | 0.11676    | 0.11676    | 0.11676    |   0.0 |  0.39
Modify  | 18.578     | 18.578     | 18.578     |   0.0 | 61.87
Other   |            | 3.264      |            |       | 10.87

Nlocal:           1024 ave        1024 max        1024 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1025 ave        1025 max        1025 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:         4104 ave        4104 max        4104 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4104
Ave neighs/atom = 4.0078125
Neighbor list builds = 2127
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:33
