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  283.2827538419142 273.8944649983266 296.5592967658798 -4700.575583147594 37.45936474387005 -4663.116218403724 4.126639863568324e-20 -2.97354681819895e-19 -2.560882831842118e-19 -4663.116218403724 21.72 21.72 43.44
      1000  1       1024  291.4279354448677 280.8975064164023 276.3218464260812 -4701.249364899025 38.53642758808529 -4662.712937310939 -1.837071813109111 1.432345654555801 -0.4047261585533102 -4663.117663469492 21.72 21.72 43.44
      2000  2       1024  300.4141630835046 322.0787523141817 236.8244549416499 -4702.231577242916 39.72470458067269 -4662.506872662243 -4.572752509996774 3.960620042221664 -0.6121324677751105 -4663.119005130018 21.72 21.72 43.44
      3000  3       1024  287.6431122946863 295.8865677848643 276.6650910282665 -4702.10470640251 38.03594858274207 -4664.068757819768 -5.339553184053804 6.287535898670778 0.9479827146169741 -4663.120775105151 21.72 21.72 43.44
      4000  4       1024  299.946707310252 322.2066966826432 257.6083170125412 -4703.053947506328 39.66289144141723 -4663.391056064911 -8.054866644183761 8.327412305610022 0.2725456614262605 -4663.118510403485 21.72 21.72 43.44
      5000  5       1024  291.1084894395081 312.5383771724916 272.9971817612092 -4701.376000966786 38.49418624346247 -4662.881814723323 -10.96069114938506 10.72357156647264 -0.2371195829124186 -4663.118934306236 21.72 21.72 43.44
      6000  6       1024  296.313713534792 334.6194496821151 303.8467647569087 -4701.980836374706 39.18248930926659 -4662.79834706544 -12.94329738371803 12.6211015601648 -0.3221958235532352 -4663.120542888993 21.72 21.72 43.44
      7000  7       1024  289.1860481343337 353.8539675456882 235.7555645290043 -4700.776682758627 38.23997581563884 -4662.536706942989 -16.16304612815087 15.58246182901244 -0.5805842991384278 -4663.117291242127 21.72 21.72 43.44
      8000  8       1024  290.7853261701078 342.2064320055558 244.1754083816365 -4702.56300809246 38.4514533533867 -4664.111554739074 -17.46775775836115 18.45925036848593 0.9914926101247801 -4663.120062128949 21.72 21.72 43.44
      9000  9       1024  299.7776076045917 369.7666929731669 281.1456825707688 -4702.746164873463 39.64053085833725 -4663.105634015126 -19.49096037958566 19.47742207657747 -0.01353830300819325 -4663.119172318135 21.72 21.72 43.44
     10000  10       1024  294.9218069497829 313.1936968996803 234.184307447963 -4702.268250869218 38.99843314718074 -4663.269817722037 -21.45095781817595 21.6008846901972 0.1499268720212541 -4663.119890850016 21.72 21.72 43.44
     11000  11       1024  295.6299091753319 316.0581367753085 269.0706018574877 -4699.753531336653 39.09206771964605 -4660.661463617007 -23.97467086029696 21.51948555296485 -2.455185307332115 -4663.116648924339 21.72 21.72 43.44
     12000  12       1024  296.8097076800855 316.7662111485438 296.9338167506523 -4701.578792778004 39.24807616673458 -4662.330716611269 -25.50823405704616 24.72079535837439 -0.7874386986717674 -4663.11815530994 21.72 21.72 43.44
     13000  13       1024  293.183802764581 326.6029677979736 255.9889705186662 -4701.352902344704 38.76861141671217 -4662.584290927993 -26.82027888463967 26.29019915420923 -0.5300797304304439 -4663.114370658423 21.72 21.72 43.44
     14000  14       1024  297.672378089286 332.9639110994008 268.4306520352301 -4699.398684151571 39.3621497736652 -4660.036534377906 -30.41432501530186 27.33794655879328 -3.076378456508575 -4663.112912834415 21.72 21.72 43.44
     15000  15       1024  302.2200340093823 308.409714630852 288.8039762648812 -4699.9899689307 39.96350054257071 -4660.02646838813 -32.79390285556573 29.70729736802922 -3.086605487536502 -4663.113073875666 21.72 21.72 43.44
     16000  16       1024  304.0233772796521 350.717888530847 312.2992051532575 -4701.235243039098 40.20196226466036 -4661.033280774438 -34.57721707217477 32.49402676140299 -2.083190310771776 -4663.11647108521 21.72 21.72 43.44
     17000  17       1024  295.5069391199143 320.3153968526711 281.9185085948556 -4700.151109261133 39.07580700452665 -4661.075302256606 -36.45028944059688 34.40969048653659 -2.040598954060293 -4663.115901210666 21.72 21.72 43.44
     18000  18       1024  290.8966458659341 303.1670686625569 307.5220083966636 -4700.432649916336 38.46617350501111 -4661.966476411325 -38.66594086148364 37.51643370445615 -1.149507157027493 -4663.115983568352 21.72 21.72 43.44
     19000  19       1024  294.4559198226541 315.5055298485447 269.9845280641874 -4701.908326136503 38.93682743490949 -4662.971498701593 -40.12431340833151 39.97723482813605 -0.1470785801954619 -4663.118577281789 21.72 21.72 43.44
     20000  20       1024  301.2172480580215 322.1728729107936 243.6174903701241 -4702.242550655994 39.83089901917189 -4662.411651636822 -41.82919885211275 41.12085675699563 -0.7083420951171249 -4663.119993731939 21.72 21.72 43.44
     21000  21       1024  298.0884930293153 335.3683461172853 282.8206844666102 -4701.303327810412 39.4171739539322 -4661.88615385648 -43.64873677424661 42.41712104305984 -1.231615731186771 -4663.117769587667 21.72 21.72 43.44
     22000  22       1024  299.1595308033189 401.6063702805361 265.3358929467515 -4701.236310150553 39.55880062935366 -4661.6775095212 -47.31008438624382 45.8729705468473 -1.437113839396517 -4663.114623360596 21.72 21.72 43.44
     23000  23       1024  291.4737539536497 321.5515872264975 261.3922441294272 -4701.047316739007 38.54248631283718 -4662.50483042617 -47.69789792913389 47.0862137675166 -0.6116841616172906 -4663.116514587788 21.72 21.72 43.44
     24000  24       1024  297.3209993411419 333.3565321280458 262.6743106792598 -4702.525566823997 39.31568586256768 -4663.209880961429 -49.37562289757525 49.46562943262388 0.09000653504862299 -4663.11987442638 21.72 21.72 43.44
     25000  25       1024  306.1900350710157 302.8910473312266 226.6861852516978 -4701.869741735232 40.48846620244377 -4661.381275532788 -51.45122256151691 49.71433192029152 -1.736890641225393 -4663.118166174014 21.72 21.72 43.44
     26000  26       1024  299.32678535338 319.6781389277379 289.9882121235522 -4700.037983228024 39.5809172217365 -4660.457066006287 -55.89411400589431 53.23553219914095 -2.658581806753361 -4663.115647813041 21.72 21.72 43.44
     27000  27       1024  305.4333228471157 295.5721549667231 287.8627871226282 -4700.292132489226 40.38840377782815 -4659.903728711398 -58.4014429436408 55.19191068394354 -3.209532259697262 -4663.113260971095 21.72 21.72 43.44
     28000  28       1024  301.4627268751483 283.2834415150357 265.8044556488364 -4700.936784571954 39.86335945110054 -4661.073425120854 -61.53031214915158 59.48583253140348 -2.044479617748095 -4663.117904738602 21.72 21.72 43.44
     29000  29       1024  288.1480665281227 287.376685958354 254.358242595253 -4699.543722300474 38.10272026069536 -4661.441002039778 -63.5873791400071 61.91776848364614 -1.669610656360959 -4663.110612696139 21.72 21.72 43.44
     30000  30       1024  307.2901994349718 298.9929202285591 274.9410856360702 -4699.793497719154 40.63394437797238 -4659.159553341182 -66.20277697461444 62.24610005869804 -3.956676915916397 -4663.116230257098 21.72 21.72 43.44
     31000  31       1024  300.0705490891411 360.0839437702065 274.4850098265609 -4699.706757889548 39.67926742725832 -4660.027490462289 -67.74629408684092 64.66051649569633 -3.085777591144591 -4663.113268053434 21.72 21.72 43.44
     32000  32       1024  300.876958377708 314.8252149487588 270.4710342600648 -4699.803977687448 39.78590145020392 -4660.018076237245 -70.20044905449897 67.10312917702883 -3.097319877470142 -4663.115396114715 21.72 21.72 43.44
     33000  33       1024  297.920411360985 312.7573904893336 288.0593427266845 -4700.939422774949 39.39494798911312 -4661.544474785836 -72.22807948223462 70.65357330365632 -1.574506178578304 -4663.118980964414 21.72 21.72 43.44
     34000  34       1024  297.2801696294399 366.2511208628796 247.734515941164 -4701.299211382637 39.31028682206029 -4661.988924560576 -73.72922623935868 72.60359113120988 -1.125635108148799 -4663.114559668726 21.72 21.72 43.44
     35000  35       1024  310.7274105100865 338.443451125872 260.6400664812973 -4701.461594019323 41.0884575511825 -4660.373136468141 -75.51498797493994 72.77459281183184 -2.740395163108104 -4663.113531631248 21.72 21.72 43.44
     36000  36       1024  299.7207911718565 293.4525397761048 268.9712851169086 -4699.008564616763 39.63301784369584 -4659.375546773067 -76.87793744286694 73.1409301956129 -3.737007247254041 -4663.112554020321 21.72 21.72 43.44
     37000  37       1024  308.4070196570785 312.0054750263065 296.0723978758655 -4699.661538056474 40.78162500972933 -4658.879913046744 -79.91423896798327 75.68214651872768 -4.232092449255589 -4663.112005496 21.72 21.72 43.44
     38000  38       1024  322.8084153534472 369.5425241729852 320.1583897138729 -4700.510406392159 42.68596661505037 -4657.824439777109 -82.85235041833033 77.56016838005735 -5.292182038272983 -4663.116621815381 21.72 21.72 43.44
     39000  39       1024  307.0756925062959 326.5246601335039 292.7744833075344 -4698.701905914331 40.60557945574402 -4658.096326458587 -85.62139513628232 80.60604094578248 -5.015354190499835 -4663.111680649087 21.72 21.72 43.44
     40000  40       1024  309.1588180738109 290.5953865630391 338.4358484364293 -4701.026716731572 40.88103766625115 -4660.145679065321 -87.38429373206372 84.41326875831363 -2.97102497375009 -4663.116704039071 21.72 21.72 43.44
     41000  41       1024  288.1499113782789 305.6947312273103 271.0701934158998 -4699.421883051713 38.10296421100283 -4661.31891884071 -89.70239180795404 87.90979326531745 -1.792598542636597 -4663.111517383347 21.72 21.72 43.44
     42000  42       1024  303.4368758620881 351.1544659237508 291.838163904198 -4700.770387258319 40.12440734744295 -4660.645979910876 -92.19981901728028 89.73399224519183 -2.465826772088448 -4663.111806682965 21.72 21.72 43.44
     43000  43       1024  312.7996658800716 354.5476960156674 264.0148805103476 -4700.630423443412 41.36247836146464 -4659.267945081947 -94.3338085076424 90.48741172787574 -3.846396779766664 -4663.114341861714 21.72 21.72 43.44
     44000  44       1024  309.7434530271785 306.7292009289426 310.6265124877647 -4699.844596129176 40.95834577506894 -4658.886250354108 -95.97910015353013 91.75156450164292 -4.227535651887209 -4663.113786005995 21.72 21.72 43.44
     45000  45       1024  298.3143284262037 310.2829213036883 293.6114126322889 -4699.085501256814 39.44703687495154 -4659.638464381862 -96.66693564209524 93.19244364212894 -3.474491999966304 -4663.112956381829 21.72 21.72 43.44
     46000  46       1024  296.2550512627805 289.8411574884819 311.4416895207767 -4700.283776375066 39.17473221352326 -4661.109044161542 -98.89406845417771 96.89112343556424 -2.002945018613474 -4663.111989180156 21.72 21.72 43.44
     47000  47       1024  308.708672753627 369.8879372464166 304.4366828034945 -4699.80332540296 40.82151354235788 -4658.981811860602 -102.804223425006 98.66966575614106 -4.134557668864915 -4663.116369529466 21.72 21.72 43.44
     48000  48       1024  299.9749203891834 346.5325024002494 273.9115836159323 -4700.249840836837 39.6666221451043 -4660.583218691733 -105.1565669393619 102.6238343627032 -2.532732576658688 -4663.115951268392 21.72 21.72 43.44
     49000  49       1024  292.5276004241763 303.7353147378638 279.2498155481244 -4701.428305892066 38.68183972841971 -4662.746466163646 -105.8806659367379 105.5076040108569 -0.3730619258810464 -4663.119528089527 21.72 21.72 43.44
     50000  50       1024  299.5284973179093 324.0952878398362 275.2827620967591 -4700.072571561794 39.60759022582881 -4660.464981335965 -108.4822893554843 105.8291549597985 -2.653134395685811 -4663.118115731651 21.72 21.72 43.44
Loop time of 31.0026 on 1 procs for 50000 steps with 1024 atoms

Performance: 139.343 ns/day, 0.172 hours/ns, 1612.768 timesteps/s, 1.651 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    | 2.3574     | 2.3574     | 2.3574     |   0.0 |  7.60
Neigh   | 0.66515    | 0.66515    | 0.66515    |   0.0 |  2.15
Comm    | 5.2925     | 5.2925     | 5.2925     |   0.0 | 17.07
Output  | 0.12512    | 0.12512    | 0.12512    |   0.0 |  0.40
Modify  | 19.106     | 19.106     | 19.106     |   0.0 | 61.63
Other   |            | 3.456      |            |       | 11.15

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 = 2149
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:34
