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  300.1716195529491 299.2223905764683 321.1956914932387 -6405.589504905049 59.55834854983902 -6346.03115635521 -2.100533316551084e-18 -1.599471540343181e-18 -3.700004856894265e-18 -6346.03115635521 21.72 21.72 65.16
      1000  1       1536  291.1733020853258 342.058923728104 246.9864454417468 -6406.19131557692 57.77295348518575 -6348.418362091734 -1.199158801497638 3.584374197591162 2.385215396093525 -6346.03314669564 21.72 21.72 65.16
      2000  2       1536  294.1033645505461 328.5620760095423 273.3243225114821 -6405.72056684745 58.35431984432488 -6347.366247003125 -1.975932202721151 3.311040035269008 1.335107832547857 -6346.031139170577 21.72 21.72 65.16
      3000  3       1536  291.9188354496712 358.2100495522752 289.3942795574909 -6405.25751458075 57.92087798262941 -6347.33663659812 -3.27529480622481 4.58027802868823 1.30498322246342 -6346.031653375657 21.72 21.72 65.16
      4000  4       1536  295.8581699997108 321.8021542471752 276.0206386419134 -6407.478291986968 58.70249837877181 -6348.775793608196 -3.981225745614014 6.724623621499034 2.74339787588502 -6346.032395732311 21.72 21.72 65.16
      5000  5       1536  295.877216236499 379.0243128796179 278.6908446475115 -6405.873094790395 58.70627742494175 -6347.166817365453 -4.907153824464049 6.040506242563935 1.133352418099886 -6346.033464947353 21.72 21.72 65.16
      6000  6       1536  298.3833278427417 321.2022573932599 284.328788885541 -6406.214889078712 59.20352586159174 -6347.011363217121 -5.188811220798938 6.16323023790871 0.9744190171097724 -6346.036944200011 21.72 21.72 65.16
      7000  7       1536  303.550213626777 326.0497657459476 264.9377437161687 -6406.003675364948 60.22871000425349 -6345.774965360695 -6.708135910817403 6.450053326267718 -0.258082584549685 -6346.033047945245 21.72 21.72 65.16
      8000  8       1536  306.4098792794351 349.0163866370984 257.4623363262771 -6407.251460800519 60.79610862751665 -6346.455352173002 -7.786581076860434 8.206285340327579 0.4197042634671453 -6346.035647909535 21.72 21.72 65.16
      9000  9       1536  301.6682606673483 328.1266691933204 301.0796052084779 -6404.883420968905 59.85530358269044 -6345.028117386214 -8.00448259753024 7.001201347903627 -1.003281249626613 -6346.031398635841 21.72 21.72 65.16
     10000  10       1536  309.8395104473126 346.6522419543453 293.2272546421378 -6404.919637548075 61.47659657237318 -6343.443040975702 -10.68987554247197 8.09840867871358 -2.591466863758392 -6346.034507839461 21.72 21.72 65.16
     11000  11       1536  297.8568335987977 331.8022770537833 262.8189032570336 -6404.816849960508 59.09906186283995 -6345.717788097668 -10.51537834273433 10.19979950586258 -0.3155788368717438 -6346.03336693454 21.72 21.72 65.16
     12000  12       1536  300.1034674200462 340.8166728558645 260.7290616733081 -6405.462698285541 59.54482619055705 -6345.917872094984 -10.63666296824364 10.518616306582 -0.1180466616616407 -6346.035918756646 21.72 21.72 65.16
     13000  13       1536  297.8514624186353 352.2639971850325 283.7567336878156 -6403.917091510314 59.09799614376659 -6344.819095366547 -13.46069932657816 12.25258930350505 -1.208110023073111 -6346.027205389621 21.72 21.72 65.16
     14000  14       1536  297.0539593348381 349.421260072683 291.5384997082963 -6404.187411740023 58.93976010964351 -6345.24765163038 -12.25037864254032 11.46201823012357 -0.7883604124167487 -6346.036012042796 21.72 21.72 65.16
     15000  15       1536  300.7402126591374 356.7890366847361 253.0738807187786 -6405.346672058226 59.6711655658242 -6345.675506492402 -14.19288884137175 13.83395563529888 -0.3589332060728747 -6346.034439698475 21.72 21.72 65.16
     16000  16       1536  306.9439962653261 343.1012848873646 275.6254422506417 -6406.730122628568 60.90208508744801 -6345.82803754112 -12.95093589651684 12.74213663652993 -0.2087992599869075 -6346.036836801108 21.72 21.72 65.16
     17000  17       1536  296.0872943984754 367.3478268352849 261.503121969019 -6407.46960780165 58.74795994113809 -6348.721647860511 -13.4206635127084 16.11018144616985 2.689517933461445 -6346.03212992705 21.72 21.72 65.16
     18000  18       1536  293.4997439679696 315.0943402455061 288.3107211803023 -6405.376501172019 58.23455287534063 -6347.141948296678 -13.72239189646115 14.83206449527992 1.109672598818769 -6346.032275697859 21.72 21.72 65.16
     19000  19       1536  299.3393344443316 354.1516378863629 279.7723132395996 -6406.401050348209 59.39321126382342 -6347.007839084386 -14.8987199570525 15.87222015715327 0.9735002001007675 -6346.034338884285 21.72 21.72 65.16
     20000  20       1536  290.0249691200819 325.4150046983974 277.8886632624377 -6404.92856394171 57.54510777779636 -6347.383456163914 -15.45460933532537 16.80705549664003 1.352446161314655 -6346.0310100026 21.72 21.72 65.16
     21000  21       1536  302.4473747155288 324.8254589812398 271.8657834217743 -6405.35156035758 60.00989096876884 -6345.341669388811 -17.14706024644981 16.45155514056205 -0.6955051058877686 -6346.037174494699 21.72 21.72 65.16
     22000  22       1536  307.8043619446312 351.6305412906893 295.6437000432758 -6405.509767740647 61.07279396087412 -6344.436973779773 -18.98696350192968 17.38952201691757 -1.597441485012116 -6346.034415264786 21.72 21.72 65.16
     23000  23       1536  292.9170075635722 357.2701545635175 281.449651446461 -6407.175802819862 58.11892962642234 -6349.05687319344 -18.24293408656592 21.26715734386931 3.024223257303394 -6346.032649936136 21.72 21.72 65.16
     24000  24       1536  293.1378106140674 352.3266842934375 280.4262388448115 -6406.129938255885 58.16274011410884 -6347.967198141776 -19.57392856671323 21.50670088693495 1.932772320221712 -6346.034425821555 21.72 21.72 65.16
     25000  25       1536  305.8125941186716 334.1789490393399 287.2827136880274 -6406.363019851578 60.67759869695966 -6345.685421154619 -21.80458417938062 21.45234102637492 -0.3522431530056984 -6346.037664307624 21.72 21.72 65.16
     26000  26       1536  298.7970697640139 324.1157883691575 310.4654850784223 -6407.596386639549 59.28561818462185 -6348.310768454927 -19.82926593386273 22.10360834310632 2.274342409243598 -6346.036426045684 21.72 21.72 65.16
     27000  27       1536  284.1549386087345 289.890072262069 266.5077053566784 -6405.600377654478 56.38040965039279 -6349.219968004085 -20.85202119968442 24.03432752120041 3.182306321515991 -6346.037661682569 21.72 21.72 65.16
     28000  28       1536  288.7368039498644 298.3908035823656 280.8637312795967 -6406.270943312279 57.28951735818293 -6348.981425954096 -20.81387529431164 23.7600350134458 2.946159719134169 -6346.035266234962 21.72 21.72 65.16
     29000  29       1536  288.9157619587689 326.0738111136396 250.8027750911894 -6407.168332635966 57.32502519028909 -6349.843307445677 -21.4952600305692 25.30162897136357 3.806368940794371 -6346.036938504883 21.72 21.72 65.16
     30000  30       1536  293.6472017593451 328.0370102423218 276.5628264290993 -6405.657616625944 58.26381061312482 -6347.393806012819 -23.29345641463204 24.65205119073127 1.358594776099231 -6346.03521123672 21.72 21.72 65.16
     31000  31       1536  291.6452240134184 320.5126611955446 290.4295203830548 -6406.117490614489 57.86658955485655 -6348.250901059632 -22.39303954043205 24.60545884603534 2.212419305603284 -6346.038481754029 21.72 21.72 65.16
     32000  32       1536  305.4117493841601 353.7617764211199 286.761512915077 -6404.652175548324 60.5980653605038 -6344.05411018782 -26.45632377250739 24.4766081520577 -1.979715620449689 -6346.033825808269 21.72 21.72 65.16
     33000  33       1536  302.3825589068013 332.4843842160109 287.9475330749393 -6405.81157195072 59.99703058398801 -6345.814541366733 -26.35269960398367 26.12736978516952 -0.2253298188141457 -6346.039871185547 21.72 21.72 65.16
     34000  34       1536  295.5165054228731 311.4334946180809 288.6471912068855 -6406.076907640998 58.6347072332107 -6347.442200407787 -26.44701229022507 27.85306458128924 1.406052291064174 -6346.036148116723 21.72 21.72 65.16
     35000  35       1536  293.4831524880057 306.0142128494822 279.4434251920441 -6404.048308855232 58.23126088808308 -6345.817047967149 -27.86650026715721 27.64922117606057 -0.2172790910966356 -6346.034327058245 21.72 21.72 65.16
     36000  36       1536  301.2834960708315 320.3396676237385 231.5793947984709 -6407.277742883261 59.7789607759217 -6347.49878210734 -28.20384425841433 29.66502577824825 1.461181519833918 -6346.037600587506 21.72 21.72 65.16
     37000  37       1536  295.9973952399569 333.1578135277184 269.4086244949059 -6403.699392836755 58.73012266050058 -6344.969270176254 -32.34037978973767 31.27881398880266 -1.061565800935011 -6346.030835977189 21.72 21.72 65.16
     38000  38       1536  295.3759626485482 340.8163925060311 274.4248434282233 -6404.349316725602 58.60682153385019 -6345.742495191752 -32.5108552444533 32.21790464576605 -0.2929505986872556 -6346.03544579044 21.72 21.72 65.16
     39000  39       1536  293.7166780362898 352.4208652018376 261.1967010155844 -6406.286398072694 58.27759570154983 -6348.008802371144 -33.05050626568893 35.02397733655994 1.973471070871014 -6346.035331300273 21.72 21.72 65.16
     40000  40       1536  302.2589469697575 323.2844667219231 261.3533299740745 -6404.778267635933 59.97250420523729 -6344.805763430696 -37.23996567118104 36.01054790850589 -1.229417762675148 -6346.035181193371 21.72 21.72 65.16
     41000  41       1536  300.6846057359978 359.9098533349887 250.053524761612 -6403.981924474655 59.66013235583898 -6344.321792118816 -38.34839304942263 36.63828125251387 -1.710111796908762 -6346.031903915725 21.72 21.72 65.16
     42000  42       1536  301.2179124583984 328.9712652361123 272.0113799471587 -6404.503771725772 59.76594804788878 -6344.737823677883 -39.17458805920671 37.87772813215513 -1.296859927051578 -6346.034683604935 21.72 21.72 65.16
     43000  43       1536  306.1743779191734 342.4393593234686 296.0908664340224 -6402.211879427132 60.74938178465483 -6341.462497642477 -41.236527151461 36.66676327285899 -4.569763878602011 -6346.032261521079 21.72 21.72 65.16
     44000  44       1536  296.7867349913996 296.3186624005001 269.7880582319991 -6405.687334410309 58.88673897256461 -6346.800595437744 -38.77220572919339 39.53263424982176 0.7604285206283734 -6346.040166917116 21.72 21.72 65.16
     45000  45       1536  301.6240548445728 359.8356430897908 283.5296512823435 -6407.285159320244 59.84653251431057 -6347.438626805933 -40.5964420977684 42.00036714534473 1.403925047576323 -6346.034701758357 21.72 21.72 65.16
     46000  46       1536  304.0266893512464 372.7534863237904 262.9955762860416 -6404.65507626874 60.32324961234753 -6344.331826656393 -44.13543469222665 42.4308189416141 -1.704615750612554 -6346.036442407006 21.72 21.72 65.16
     47000  47       1536  301.5208737918063 307.9636092910114 302.0296759418297 -6405.363855445617 59.82605991562333 -6345.537795529993 -42.61643049679098 42.11995422962219 -0.4964762671687808 -6346.034271797162 21.72 21.72 65.16
     48000  48       1536  301.1138170456483 328.5468562567393 263.1298904192254 -6403.564076201525 59.7452940270848 -6343.81878217444 -45.03366380833344 42.81995583901558 -2.213707969317859 -6346.032490143757 21.72 21.72 65.16
     49000  49       1536  308.491424661132 360.7931953227171 293.776783927701 -6403.843149712589 61.20911704433516 -6342.634032668254 -46.57117635027278 43.16877027307372 -3.402406077199061 -6346.036438745453 21.72 21.72 65.16
     50000  50       1536  303.2586773371385 324.3177710857707 267.9039195437977 -6403.971699130057 60.17086502883885 -6343.800834101218 -46.00417403126972 43.77026654528346 -2.233907485986258 -6346.034741587205 21.72 21.72 65.16
Loop time of 22.6108 on 1 procs for 50000 steps with 1536 atoms

Performance: 191.059 ns/day, 0.126 hours/ns, 2211.335 timesteps/s, 3.397 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    | 1.1316     | 1.1316     | 1.1316     |   0.0 |  5.00
Neigh   | 0.62105    | 0.62105    | 0.62105    |   0.0 |  2.75
Comm    | 3.9563     | 3.9563     | 3.9563     |   0.0 | 17.50
Output  | 0.15084    | 0.15084    | 0.15084    |   0.0 |  0.67
Modify  | 14.453     | 14.453     | 14.453     |   0.0 | 63.92
Other   |            | 2.298      |            |       | 10.16

Nlocal:           1536 ave        1536 max        1536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1422 ave        1422 max        1422 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:         6236 ave        6236 max        6236 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6236
Ave neighs/atom = 4.0598958
Neighbor list builds = 2148
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:24
