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       1536  291.1172538705857 280.439508993292 286.1160577604148 -6406.401461150339 57.76183271662657 -6348.639628433712 -5.919664502853082e-18 -1.645665465391844e-18 -7.565329968244927e-18 -6348.639628433712 21.72 21.72 65.16
      1000  1       1536  287.5624100901881 310.7095304812655 265.1608349931883 -6404.308901456665 57.05650079607903 -6347.252400660586 -3.59135020774263 2.209427522931149 -1.381922684811481 -6348.634323345398 21.72 21.72 65.16
      2000  2       1536  294.0230525703391 312.0223738429178 296.1419616780555 -6406.78674537448 58.33838479717746 -6348.448360577303 -4.512468341082561 4.32144535016261 -0.1910229909199517 -6348.639383568223 21.72 21.72 65.16
      3000  3       1536  289.8697864393364 328.4455560734649 242.5088520518635 -6405.461316112304 57.51431731132086 -6347.946998800983 -6.191079916556048 5.506799880718315 -0.684280035837733 -6348.631278836821 21.72 21.72 65.16
      4000  4       1536  299.3625277449602 345.7867822893015 241.2321583153077 -6407.951792269508 59.39781314685593 -6348.553979122652 -6.955314932676084 6.870474392863271 -0.08484053981281292 -6348.638819662465 21.72 21.72 65.16
      5000  5       1536  294.1843104529783 320.7507895747727 250.7504490833574 -6404.972630554871 58.37038067072119 -6346.60224988415 -9.391456996514616 7.35868072679353 -2.032776269721086 -6348.635026153871 21.72 21.72 65.16
      6000  6       1536  285.5394797457836 320.8783053293464 247.0937647193862 -6405.865689154735 56.6551224421776 -6349.210566712558 -7.791968627990992 8.362925889864545 0.570957261873553 -6348.639609450684 21.72 21.72 65.16
      7000  7       1536  298.2359833306115 318.6462261026317 291.5172640679808 -6406.455216691698 59.17429060003229 -6347.280926091666 -9.000187920116295 7.645499458453074 -1.354688461663221 -6348.635614553329 21.72 21.72 65.16
      8000  8       1536  302.9746335067686 326.8897245633662 272.1817299329546 -6407.190179531051 60.11450666465439 -6347.075672866397 -10.35473707949481 8.791641305297562 -1.563095774197253 -6348.638768640594 21.72 21.72 65.16
      9000  9       1536  299.2359087822231 301.9725290484166 285.2180909120232 -6405.29206718689 59.3726901311393 -6345.91937705575 -11.37352889621362 8.655078589363157 -2.71845030685046 -6348.637827362601 21.72 21.72 65.16
     10000  10       1536  297.2014497441664 328.7754631901637 268.3755604781579 -6404.748376787486 58.96902431929669 -6345.77935246819 -12.86323731142486 10.00224267622521 -2.860994635199656 -6348.64034710339 21.72 21.72 65.16
     11000  11       1536  290.7185634144017 303.130720919495 277.1510720778527 -6405.457193439029 57.68272681984569 -6347.774466619183 -13.19583719550367 12.32532080369306 -0.8705163918106109 -6348.644983010993 21.72 21.72 65.16
     12000  12       1536  294.1405459273768 387.9944566257225 257.500769723239 -6404.714164155891 58.36169716202114 -6346.35246699387 -16.41350187110626 14.1295547930989 -2.283947078007358 -6348.636414071877 21.72 21.72 65.16
     13000  13       1536  291.7606862488261 298.6028510451851 238.4521135465893 -6404.5408940259 57.88949891607796 -6346.651395109822 -16.48238723804879 14.49265590719252 -1.989731330856269 -6348.641126440679 21.72 21.72 65.16
     14000  14       1536  296.1292424942919 344.414844744845 245.3684005441103 -6406.637651828935 58.75628304415283 -6347.881368784782 -15.19042232991041 14.43324071075079 -0.7571816191596223 -6348.638550403942 21.72 21.72 65.16
     15000  15       1536  298.318843573688 340.4061274355972 260.6617007688269 -6406.12446712735 59.1907312590307 -6346.933735868319 -15.77793620068142 14.07305044995765 -1.704885750723767 -6348.638621619042 21.72 21.72 65.16
     16000  16       1536  303.095653099059 341.7179976699027 291.1192788964972 -6407.380225208506 60.138518685077 -6347.241706523429 -17.6320046115756 16.23245517113718 -1.399549440438427 -6348.641255963867 21.72 21.72 65.16
     17000  17       1536  294.8218234860365 297.5315087815703 256.4136902986226 -6405.715430876657 58.49687238730817 -6347.218558489349 -18.46191067152773 17.04240943810361 -1.419501233424125 -6348.638059722773 21.72 21.72 65.16
     18000  18       1536  298.9322576442732 350.9294978159521 261.9068862369076 -6405.804839653076 59.31244139630384 -6346.492398256772 -19.53148638280882 17.38278424437337 -2.148702138435446 -6348.641100395207 21.72 21.72 65.16
     19000  19       1536  300.154757096514 359.9211899813087 250.322189817981 -6407.76729001352 59.55500279696851 -6348.212287216552 -19.61455021693022 19.18534561991566 -0.4292045970145573 -6348.641491813566 21.72 21.72 65.16
     20000  20       1536  296.8314556516108 292.007842255427 289.0034677674431 -6405.666033610136 58.89561219206553 -6346.77042141807 -20.26317889399485 18.39440241796858 -1.86877647602627 -6348.639197894096 21.72 21.72 65.16
     21000  21       1536  299.1649980810565 307.053822002943 267.2756355555861 -6405.003373927249 59.35862043240401 -6345.644753494846 -23.15292916055348 20.16056726162358 -2.992361898929904 -6348.637115393775 21.72 21.72 65.16
     22000  22       1536  296.3034605811828 307.9284845281916 269.6135609470076 -6405.062860917049 58.79085040784361 -6346.272010509206 -21.68816411654536 19.32131294405301 -2.36685117249235 -6348.638861681698 21.72 21.72 65.16
     23000  23       1536  298.2638340599386 378.5183416267245 287.5571299250214 -6404.572021562233 59.17981658362494 -6345.392204978608 -24.30179094385567 21.05437863755003 -3.247412306305645 -6348.639617284914 21.72 21.72 65.16
     24000  24       1536  311.1658096978088 307.218495228215 300.0474457378895 -6407.988932681204 61.73975333969211 -6346.249179341512 -24.05893448829402 21.66826559553799 -2.39066889275604 -6348.639848234268 21.72 21.72 65.16
     25000  25       1536  312.9355858936594 345.7530108711416 300.0600687821972 -6406.106812787077 62.09090228470117 -6344.015910502376 -26.72190650669489 22.09943584395618 -4.622470662738714 -6348.638381165115 21.72 21.72 65.16
     26000  26       1536  292.8934163532534 327.6036605814251 259.8525699604515 -6405.742240440828 58.11424879240821 -6347.62799164842 -26.43145742123753 25.42001369886058 -1.011443722376946 -6348.639435370796 21.72 21.72 65.16
     27000  27       1536  297.8776016278271 308.716936059635 242.650133869344 -6405.85158501743 59.10318253725104 -6346.748402480179 -28.51941079426399 26.63100413169104 -1.888406662572947 -6348.636809142752 21.72 21.72 65.16
     28000  28       1536  299.2794911033372 362.77557437661 281.7726759938675 -6407.115349055586 59.3813374878594 -6347.734011567727 -29.10234683322937 28.19479755778199 -0.9075492754473835 -6348.641560843174 21.72 21.72 65.16
     29000  29       1536  308.2720898252769 337.8603106142859 309.9987355318764 -6405.962365462663 61.16559787146186 -6344.796767591201 -31.9466921718275 28.10664774801694 -3.840044423810557 -6348.636812015012 21.72 21.72 65.16
     30000  30       1536  296.6393458851498 324.752134373333 262.8912556904828 -6403.517163434882 58.85749486289312 -6344.659668571989 -34.19056429036523 30.2130782960443 -3.977485994320926 -6348.63715456631 21.72 21.72 65.16
     31000  31       1536  309.1792821624447 341.0731713412347 299.2860037079771 -6406.676835404411 61.34559782448626 -6345.331237579924 -34.95827499143874 31.65013301105484 -3.308141980383901 -6348.639379560308 21.72 21.72 65.16
     32000  32       1536  303.7913317282001 319.0326579486802 301.5090919330971 -6405.306221842038 60.27655128900793 -6345.02967055303 -36.26159029077377 32.65357427674921 -3.608016014024564 -6348.637686567055 21.72 21.72 65.16
     33000  33       1536  295.4625963716739 347.2566820653479 271.5833213786803 -6405.350717603167 58.62401090533633 -6346.726706697831 -35.7987977521644 33.88620569081894 -1.912592061345457 -6348.639298759176 21.72 21.72 65.16
     34000  34       1536  299.18586402849 346.1352073598494 253.2708714492309 -6408.236400026199 59.3627605352289 -6348.87363949097 -35.34671016446618 35.57552803528719 0.2288178708210111 -6348.644821620149 21.72 21.72 65.16
     35000  35       1536  296.6263888803894 338.7077718426422 295.4775233291417 -6407.235508991299 58.85492400757097 -6348.380584983728 -35.83873811801747 35.57876449691577 -0.2599736211017003 -6348.640558604829 21.72 21.72 65.16
     36000  36       1536  302.8805100910309 356.565557088024 272.5142156092818 -6407.291209324769 60.09583123088236 -6347.195378093887 -39.08280556221531 37.63533469227295 -1.447470869942357 -6348.642848963829 21.72 21.72 65.16
     37000  37       1536  298.8336390162873 361.383572979319 275.0316734415441 -6406.294491764288 59.29287404803874 -6347.00161771625 -40.7365724722323 39.09781947334623 -1.638752998886062 -6348.640370715136 21.72 21.72 65.16
     38000  38       1536  284.7359498112303 335.7621397169468 255.9134084531204 -6405.321041770435 56.49569059454448 -6348.82535117589 -39.58649968339004 39.7728453137286 0.1863456303385576 -6348.639005545552 21.72 21.72 65.16
     39000  39       1536  302.0768891181819 347.4915341577874 287.9761886504444 -6407.789243220936 59.93638131994746 -6347.852861900989 -39.94653535301714 39.15838226339933 -0.7881530896178077 -6348.641014990606 21.72 21.72 65.16
     40000  40       1536  296.0280868469588 313.5049114528771 273.9577775070625 -6406.695691723746 58.73621231491261 -6347.959479408833 -40.66949855887074 39.98625452108963 -0.6832440377811082 -6348.642723446615 21.72 21.72 65.16
     41000  41       1536  292.4189545880803 324.5231476589964 277.7226899603818 -6406.989048466276 58.02010878268364 -6348.968939683593 -41.5066397862612 41.83719736894171 0.3305575826805125 -6348.638382100912 21.72 21.72 65.16
     42000  42       1536  297.5894174021538 337.6202400690207 275.4454536929697 -6407.076507444641 59.04600265933727 -6348.030504785303 -43.19126851522631 42.58502693077551 -0.6062415844507996 -6348.636746369754 21.72 21.72 65.16
     43000  43       1536  308.9574940047655 358.2467891810376 281.8404855487807 -6406.320286277451 61.30159187742518 -6345.018694400025 -45.89150464042576 42.2722284664441 -3.619276173981653 -6348.637970574006 21.72 21.72 65.16
     44000  44       1536  292.4376030473451 315.6779856258057 238.5324456025354 -6405.884281616991 58.02380890409574 -6347.860472712895 -45.11913247033475 44.34300974181559 -0.7761227285191694 -6348.636595441414 21.72 21.72 65.16
     45000  45       1536  296.750546072245 303.1714780768523 297.0851795132035 -6407.558977606184 58.87955857268583 -6348.679419033499 -43.71749940499592 43.75430141542485 0.03680201042892861 -6348.64261702307 21.72 21.72 65.16
     46000  46       1536  294.109652130871 352.0648252451005 256.1564057624014 -6406.558525691329 58.35556739031569 -6348.202958301013 -46.93422206339115 46.49642026328318 -0.4378018001079766 -6348.640760101121 21.72 21.72 65.16
     47000  47       1536  284.8812915565014 329.7053725020245 246.8385853695038 -6406.522229208922 56.52452847847429 -6349.997700730448 -46.96005752076088 48.31852674779479 1.358469227033908 -6348.639231503414 21.72 21.72 65.16
     48000  48       1536  288.7660190364772 314.8076302635019 272.2298573883855 -6406.146250597478 57.29531404980218 -6348.850936547676 -48.01071532013879 48.21962845896199 0.2089131388231991 -6348.642023408853 21.72 21.72 65.16
     49000  49       1536  300.4455763680012 346.4748263865709 274.6276758883191 -6405.552992987249 59.61270550571239 -6345.940287481537 -51.1193550646958 48.42126219854243 -2.698092866153374 -6348.63838034769 21.72 21.72 65.16
     50000  50       1536  305.2839689041739 379.6562426375553 283.3498916180237 -6404.365048340311 60.57271188312905 -6343.792336457182 -52.88022493866066 48.03539262438715 -4.844832314273511 -6348.637168771455 21.72 21.72 65.16
Loop time of 22.4973 on 1 procs for 50000 steps with 1536 atoms

Performance: 192.023 ns/day, 0.125 hours/ns, 2222.490 timesteps/s, 3.414 Matom-step/s
99.9% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 1.1194     | 1.1194     | 1.1194     |   0.0 |  4.98
Neigh   | 0.61533    | 0.61533    | 0.61533    |   0.0 |  2.74
Comm    | 3.9086     | 3.9086     | 3.9086     |   0.0 | 17.37
Output  | 0.15093    | 0.15093    | 0.15093    |   0.0 |  0.67
Modify  | 14.423     | 14.423     | 14.423     |   0.0 | 64.11
Other   |            | 2.28       |            |       | 10.14

Nlocal:           1536 ave        1536 max        1536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1431 ave        1431 max        1431 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:         6230 ave        6230 max        6230 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6230
Ave neighs/atom = 4.0559896
Neighbor list builds = 2146
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:24
