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  281.3232614518362 287.0014715119182 282.7749703251497 -7050.605300284301 55.81856434555571 -6994.786735938746 -5.089020770834735e-18 1.073228349742475e-18 -4.01579242109226e-18 -6994.786735938746 21.72 21.72 65.16
      1000  1       1536  290.7854416468155 307.7201102055601 284.5179252605482 -7052.643427428715 57.69599641902509 -6994.947431009689 -3.449468201462634 3.614585139361964 0.1651169378993296 -6994.78231407179 21.72 21.72 65.16
      2000  2       1536  302.6761898328852 354.2548085882357 272.1343017135059 -7053.673219207411 60.05529116527403 -6993.617928042137 -7.999736895711023 6.83294008688664 -1.166796808824383 -6994.784724850961 21.72 21.72 65.16
      3000  3       1536  298.1825060943984 312.391039450111 271.4778652190743 -7052.767517747893 59.16367995043588 -6993.603837797457 -8.939101036291104 7.764909995789927 -1.174191040501177 -6994.778028837958 21.72 21.72 65.16
      4000  4       1536  288.8488276964315 318.3216643725921 252.6354340323213 -7054.136081298449 57.31174447397036 -6996.824336824478 -9.300905177489014 11.33924181607808 2.038336638589067 -6994.786000185889 21.72 21.72 65.16
      5000  5       1536  281.0712466212324 291.7973235824579 249.8153423217625 -7051.168785493662 55.7685609936626 -6995.400224499999 -13.15696111585671 13.77425849227038 0.6172973764136724 -6994.782927123586 21.72 21.72 65.16
      6000  6       1536  293.3379019656851 340.0828250042609 256.3772642562573 -7053.242936884375 58.20244110409318 -6995.040495780282 -17.1759754415812 17.42872734372564 0.252751902144432 -6994.787743878138 21.72 21.72 65.16
      7000  7       1536  295.9732369893425 311.7508710917817 280.5508099871361 -7050.817180133145 58.72532931757033 -6992.091850815575 -21.76304895132864 19.07441717557933 -2.688631775749311 -6994.780482591324 21.72 21.72 65.16
      8000  8       1536  305.0766304422617 329.7792803074358 296.7671519252789 -7051.564172092469 60.53157296266497 -6991.032599129804 -26.03622643926641 22.2868607666396 -3.749365672626809 -6994.781964802431 21.72 21.72 65.16
      9000  9       1536  298.941078594005 318.7608680913956 313.0951005556384 -7052.581926545941 59.31419159906935 -6993.267734946872 -25.92547503365344 24.41212450068515 -1.513350532968293 -6994.781085479841 21.72 21.72 65.16
     10000  10       1536  293.4965439987939 339.621727287345 254.3098224975186 -7051.530587293109 58.23391795562437 -6993.296669337485 -27.99155672492699 26.50740425545505 -1.48415246947194 -6994.780821806957 21.72 21.72 65.16
     11000  11       1536  295.1825800864302 364.2208319299373 291.5505059963389 -7051.488150048862 58.56845166378973 -6992.919698385072 -31.09285802873079 29.22785611484212 -1.865001913888673 -6994.784700298961 21.72 21.72 65.16
     12000  12       1536  298.1741078928443 335.5911385926315 282.3855648795669 -7052.516996334029 59.16201362696368 -6993.354982707065 -33.64656146990973 32.22069388547852 -1.425867584431202 -6994.780850291496 21.72 21.72 65.16
     13000  13       1536  286.8145298046266 313.9944133629372 254.2075564084216 -7051.656196709675 56.90811063585214 -6994.748086073823 -35.83718686203271 35.80361462354049 -0.03357223849221924 -6994.781658312316 21.72 21.72 65.16
     14000  14       1536  297.1916691228 303.9679290455847 257.8501175788315 -7053.64541226988 58.96708370393392 -6994.678328565946 -38.19593392050658 38.09161081806322 -0.1043231024433524 -6994.782651668389 21.72 21.72 65.16
     15000  15       1536  304.1938609763737 308.0578441123481 335.0324967469899 -7052.108337771165 60.35641885710092 -6991.751918914064 -42.96844765793794 39.93934486004753 -3.029102797890403 -6994.781021711954 21.72 21.72 65.16
     16000  16       1536  292.10841560607 317.6911754437372 278.0606916292466 -7052.866638377288 57.95849340093494 -6994.908144976353 -44.49364178114107 44.62259099744047 0.1289492162993966 -6994.779195760053 21.72 21.72 65.16
     17000  17       1536  297.7723433254524 323.9795519444681 276.35893420913 -7049.813606572576 59.08229778248996 -6990.731308790086 -50.47503407973925 46.43125133267271 -4.043782747066537 -6994.775091537153 21.72 21.72 65.16
     18000  18       1536  288.8438646480413 310.2433384356917 284.4416205747733 -7051.075409356969 57.31075973408612 -6993.764649622883 -51.45770001883711 50.44332381725735 -1.014376201579758 -6994.779025824462 21.72 21.72 65.16
     19000  19       1536  297.9278789096555 320.8690240302703 269.5825986790793 -7052.332722949205 59.11315827006593 -6993.219564679139 -53.15481943612603 51.59582979326718 -1.558989642858855 -6994.778554321998 21.72 21.72 65.16
     20000  20       1536  300.7115604601435 281.2949404766111 270.5054673534186 -7053.421689699133 59.66548055917054 -6993.756209139962 -54.83287209459407 53.81013771470167 -1.022734379892405 -6994.778943519855 21.72 21.72 65.16
     21000  21       1536  305.1350443160645 348.4682733973676 289.024862184611 -7053.326092917383 60.54316311186454 -6992.782929805519 -58.47683646854404 56.47823068341095 -1.998605785133094 -6994.781535590651 21.72 21.72 65.16
     22000  22       1536  293.9392176928311 316.2038139528144 289.1261978772 -7052.11580740556 58.32175075674854 -6993.794056648811 -61.2975048243044 60.31317204974975 -0.9843327745546588 -6994.778389423366 21.72 21.72 65.16
     23000  23       1536  293.229383191299 343.8134997851381 254.5675345084025 -7050.997244613338 58.18090942498669 -6992.816335188351 -66.11035687265661 64.14719269781425 -1.963164174842362 -6994.779499363193 21.72 21.72 65.16
     24000  24       1536  299.1580860897465 325.5266083116537 278.6832276599914 -7050.365350490518 59.35724899433058 -6991.008101496187 -68.91816105116234 65.1498162453836 -3.768344805778739 -6994.776446301966 21.72 21.72 65.16
     25000  25       1536  292.1320585785488 323.6373065491821 319.0992634840136 -7049.962481409663 57.96318450530299 -6991.999296904361 -70.64905366772234 67.87307264871214 -2.775981019010203 -6994.775277923371 21.72 21.72 65.16
     26000  26       1536  294.5344993821548 339.9377265009898 245.1978002660888 -7052.096923896336 58.439863169877 -6993.657060726459 -72.79688393013932 71.67133308614262 -1.125550843996692 -6994.782611570456 21.72 21.72 65.16
     27000  27       1536  302.7810179357249 331.2752102871634 295.3845748606067 -7051.890302643593 60.0760905622858 -6991.814212081307 -76.34757167095958 73.38482086121114 -2.962750809748442 -6994.776962891056 21.72 21.72 65.16
     28000  28       1536  301.5881390299969 318.6396465208459 292.1159520053363 -7051.423428201199 59.83940630229176 -6991.584021898908 -80.27418403371988 77.08413342758065 -3.190050606139224 -6994.774072505047 21.72 21.72 65.16
     29000  29       1536  299.1036547985023 297.6624222859023 294.2936497448931 -7048.971702618799 59.34644904655149 -6989.625253572248 -85.33738499795497 80.19003244925104 -5.147352548703935 -6994.772606120951 21.72 21.72 65.16
     30000  30       1536  295.3165249933071 317.9093754710812 271.4345134252061 -7050.527737417513 58.59502825175009 -6991.932709165763 -87.11007209654032 84.26567423218894 -2.844397864351379 -6994.777107030115 21.72 21.72 65.16
     31000  31       1536  300.3973627334111 340.2814265421969 275.136765693522 -7050.067826248573 59.60313923006631 -6990.464687018506 -91.95972669478519 87.6500714969585 -4.309655197826686 -6994.774342216333 21.72 21.72 65.16
     32000  32       1536  300.4070687433776 287.4460701030863 308.980370486417 -7050.43368978453 59.60506504145873 -6990.828624743071 -94.40815011969703 90.46432525870503 -3.943824860991995 -6994.772449604063 21.72 21.72 65.16
     33000  33       1536  303.0113487271697 313.1633112775336 304.4191915703336 -7049.810435155122 60.12179149023847 -6989.688643664884 -97.91035220311055 92.82486359451563 -5.085488608594915 -6994.774132273478 21.72 21.72 65.16
     34000  34       1536  307.1097201826354 354.6987597659156 280.6477478835538 -7051.574623756914 60.93496708623542 -6990.639656670678 -101.7160990259291 97.58131089428962 -4.134788131639439 -6994.774444802318 21.72 21.72 65.16
     35000  35       1536  295.6472603354335 296.6808594117429 274.8226865974867 -7051.663938869808 58.66065088060971 -6993.003287989198 -104.1885198990035 102.4182001737482 -1.77031972525522 -6994.773607714453 21.72 21.72 65.16
     36000  36       1536  302.7262252614937 314.3968748514446 284.3312812984 -7052.414109204996 60.06521891094614 -6992.34889029405 -108.6015328355428 106.1757213756674 -2.425811459875447 -6994.774701753925 21.72 21.72 65.16
     37000  37       1536  300.806076870579 332.894941460912 246.0379623328591 -7051.703698818174 59.68423396871932 -6992.019464849454 -113.1491883058225 110.3903133109369 -2.758874994885616 -6994.77833984434 21.72 21.72 65.16
     38000  38       1536  298.2691245983293 315.9599412625168 262.9659235844618 -7050.601701762196 59.18086630221578 -6991.42083545998 -115.4592130673744 112.106904738548 -3.352308328826467 -6994.773143788807 21.72 21.72 65.16
     39000  39       1536  307.0900660521735 338.6077315423249 300.5605527025767 -7051.274736659995 60.93106742525403 -6990.343669234741 -119.3715987216607 114.9431246401905 -4.42847408147027 -6994.772143316211 21.72 21.72 65.16
     40000  40       1536  295.0023772484863 283.86731963554 271.9090784912972 -7051.205078571391 58.532696839773 -6992.672381731618 -121.3300452299884 119.2252319272975 -2.104813302690985 -6994.777195034309 21.72 21.72 65.16
     41000  41       1536  302.1418046650646 304.3037514152807 287.3423316442654 -7051.745323296425 59.94926149420678 -6991.796061802219 -124.7357913974999 121.757484113592 -2.978307283907895 -6994.774369086127 21.72 21.72 65.16
     42000  42       1536  298.5016721325447 318.0747696148313 272.2351971231108 -7052.477481718584 59.22700706368363 -6993.250474654901 -125.7306347269839 124.2055652750441 -1.525069451939729 -6994.775544106841 21.72 21.72 65.16
     43000  43       1536  301.7354533668441 330.0048770110572 291.1198068725582 -7050.650700968198 59.86863557664289 -6990.782065391555 -129.3987132576555 125.4085801124533 -3.99013314520225 -6994.772198536757 21.72 21.72 65.16
     44000  44       1536  295.6897880907015 312.5830164150932 253.4748387582161 -7051.154542665265 58.66908899636184 -6992.485453668903 -131.3416002863891 129.0535410066566 -2.288059279732494 -6994.773512948635 21.72 21.72 65.16
     45000  45       1536  293.6924782391845 297.1831762976345 279.6947933273847 -7049.65466872409 58.27279411520074 -6991.381874608889 -135.849277179151 132.4582611184621 -3.391016060688884 -6994.772890669578 21.72 21.72 65.16
     46000  46       1536  307.992733763284 313.0049561151084 284.8845470109146 -7051.921712448266 61.11016962766433 -6990.811542820601 -138.3968588203721 134.4330150430768 -3.963843777295381 -6994.775386597897 21.72 21.72 65.16
     47000  47       1536  290.289531055403 319.2824405142171 270.0012700305375 -7050.381121154019 57.59760065497221 -6992.783520499046 -140.5844591939066 138.5953183203403 -1.989140873566356 -6994.772661372613 21.72 21.72 65.16
     48000  48       1536  294.0978796880587 345.1927872404914 264.8268395725765 -7050.269293473467 58.35323156905002 -6991.916061904417 -142.5296186457397 139.667390188314 -2.862228457425658 -6994.778290361843 21.72 21.72 65.16
     49000  49       1536  287.2139181775135 303.7104413583277 254.1271699334761 -7053.938227039634 56.98735500930282 -6996.950872030331 -142.4036196259192 144.5735475561796 2.169927930260428 -6994.780944100071 21.72 21.72 65.16
     50000  50       1536  295.5923963640399 335.730749478323 278.2672287299386 -7050.699609037733 58.64976508289188 -6992.049843954842 -148.0191184078142 145.2916016239317 -2.727516783882493 -6994.777360738724 21.72 21.72 65.16
Loop time of 31.4973 on 1 procs for 50000 steps with 1536 atoms

Performance: 137.155 ns/day, 0.175 hours/ns, 1587.440 timesteps/s, 2.438 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    | 2.3814     | 2.3814     | 2.3814     |   0.0 |  7.56
Neigh   | 0.68353    | 0.68353    | 0.68353    |   0.0 |  2.17
Comm    | 5.2961     | 5.2961     | 5.2961     |   0.0 | 16.81
Output  | 0.14143    | 0.14143    | 0.14143    |   0.0 |  0.45
Modify  | 19.474     | 19.474     | 19.474     |   0.0 | 61.83
Other   |            | 3.52       |            |       | 11.18

Nlocal:           1536 ave        1536 max        1536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1397 ave        1397 max        1397 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:         6156 ave        6156 max        6156 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6156
Ave neighs/atom = 4.0078125
Neighbor list builds = 2206
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:35
