Using device 0 (rank 0, local rank 0, local size 1) : Tesla V100-PCIE-16GB
running on 1 total cores
distrk: each k-point on 1 cores, 1 groups
distr: one band on 1 cores, 1 groups
*******************************************************************************
You are running the GPU port of VASP! When publishing results obtained with
this version, please cite:
- M. Hacene et al., http://dx.doi.org/10.1002/jcc.23096
- M. Hutchinson and M. Widom, http://dx.doi.org/10.1016/j.cpc.2012.02.017
in addition to the usual required citations (see manual).
GPU developers: A. Anciaux-Sedrakian, C. Angerer, and M. Hutchinson.
*******************************************************************************
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| Please note that VASP has recently been ported to GPU by means of |
| OpenACC. You are running the CUDA-C GPU-port of VASP, which is |
| deprecated and no longer actively developed, maintained, or |
| supported. In the near future, the CUDA-C GPU-port of VASP will be |
| dropped completely. We encourage you to switch to the OpenACC |
| GPU-port of VASP as soon as possible. |
| |
-----------------------------------------------------------------------------
vasp.6.2.1 16May21 (build Apr 11 2022 11:03:26) complex
MD_VERSION_INFO: Compiled 2022-04-11T18:25:55-UTC in devlin.sd.materialsdesign.
com:/home/medea2/data/build/vasp6.2.1/16685/x86_64/src/src/build/gpu from svn 1
6685
This VASP executable licensed from Materials Design, Inc.
POSCAR found type information on POSCAR SiC H
POSCAR found : 3 types and 37 ions
NWRITE = 1
LDA part: xc-table for Pade appr. of Perdew
WARNING: The GPU port of VASP has been extensively
tested for: ALGO=Normal, Fast, and VeryFast.
Other algorithms may produce incorrect results or
yield suboptimal performance. Handle with care!
-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| The distance between some ions is very small. Please check the |
| nearest-neighbor list in the OUTCAR file. |
| I HOPE YOU KNOW WHAT YOU ARE DOING! |
| |
-----------------------------------------------------------------------------
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 54 x 96 x 40...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.171290542686E+04 0.17129E+04 -0.40492E+04 1496 0.937E+02
DAV: 2 0.863084639682E+03 -0.84982E+03 -0.82016E+03 2088 0.210E+02
DAV: 3 0.686504878491E+03 -0.17658E+03 -0.16851E+03 2648 0.824E+01
DAV: 4 0.661019237797E+03 -0.25486E+02 -0.24559E+02 2072 0.331E+01
DAV: 5 0.658864422803E+03 -0.21548E+01 -0.21038E+01 2184 0.105E+01 0.191E+03
DAV: 6 0.700807960973E+03 0.41944E+02 -0.16421E+03 2368 0.117E+02 0.416E+02
DAV: 7 0.781829341523E+03 0.81021E+02 -0.40733E+02 2092 0.624E+01 0.292E+02
DAV: 8 0.787159428385E+03 0.53301E+01 -0.14604E+02 2000 0.309E+01 0.387E+02
DAV: 9 0.785653915187E+03 -0.15055E+01 -0.17376E+01 2112 0.107E+01 0.345E+02
DAV: 10 0.765133728288E+03 -0.20520E+02 -0.11490E+02 2096 0.205E+01 0.299E+02
DAV: 11 0.775601534671E+03 0.10468E+02 -0.92088E+01 2336 0.235E+01 0.520E+02
DAV: 12 0.770905861448E+03 -0.46957E+01 -0.45071E+01 1816 0.156E+01 0.715E+02
DAV: 13 0.769348630947E+03 -0.15572E+01 -0.13980E+01 2168 0.817E+00 0.721E+02
DAV: 14 0.778426087056E+03 0.90775E+01 -0.30641E+01 2114 0.118E+01 0.533E+02
DAV: 15 0.777915334359E+03 -0.51075E+00 -0.42639E+01 1816 0.114E+01 0.476E+02
DAV: 16 0.786026634225E+03 0.81113E+01 -0.12447E+01 1736 0.913E+00 0.416E+02
DAV: 17 0.789544309577E+03 0.35177E+01 -0.71312E+00 1648 0.623E+00 0.385E+02
DAV: 18 0.794862912440E+03 0.53186E+01 -0.72180E+00 1912 0.482E+00 0.368E+02
DAV: 19 0.794784346883E+03 -0.78566E-01 -0.61121E-01 1856 0.186E+00 0.379E+02
DAV: 20 0.794948149693E+03 0.16380E+00 -0.99201E-01 1864 0.137E+00 0.363E+02
DAV: 21 0.794359062192E+03 -0.58909E+00 -0.30131E+00 1776 0.366E+00 0.315E+02
DAV: 22 0.794519082484E+03 0.16002E+00 -0.25632E+00 1928 0.384E+00 0.256E+02
DAV: 23 0.793705445243E+03 -0.81364E+00 -0.19443E+00 2112 0.267E+00 0.220E+02
DAV: 24 0.793783039161E+03 0.77594E-01 -0.17022E-01 1768 0.108E+00 0.218E+02
DAV: 25 0.793791895249E+03 0.88561E-02 -0.15632E-02 2456 0.291E-01 0.215E+02
DAV: 26 0.793882774082E+03 0.90879E-01 -0.20116E-02 1856 0.305E-01 0.212E+02
DAV: 27 0.794237370795E+03 0.35460E+00 -0.11595E+00 1630 0.162E+00 0.212E+02
DAV: 28 0.794219889278E+03 -0.17482E-01 -0.77966E-02 1904 0.592E-01 0.215E+02
DAV: 29 0.794204714517E+03 -0.15175E-01 -0.46950E-03 1803 0.204E-01 0.214E+02
DAV: 30 0.793585483519E+03 -0.61923E+00 -0.30096E-01 1628 0.131E+00 0.211E+02
DAV: 31 0.793568377236E+03 -0.17106E-01 -0.21063E-02 1754 0.368E-01 0.208E+02
DAV: 32 0.793332339485E+03 -0.23604E+00 -0.72511E-02 1737 0.556E-01 0.211E+02
DAV: 33 0.793248019214E+03 -0.84320E-01 -0.56920E-01 1701 0.114E+00 0.207E+02
DAV: 34 0.793178728175E+03 -0.69291E-01 -0.13102E+00 1838 0.173E+00 0.199E+02
DAV: 35 0.793135305833E+03 -0.43422E-01 -0.69596E-01 1744 0.192E+00 0.181E+02
DAV: 36 0.793215424425E+03 0.80119E-01 -0.14542E+00 1664 0.306E+00 0.158E+02
DAV: 37 0.802500841121E+03 0.92854E+01 -0.30944E+01 1531 0.132E+01 0.112E+02
DAV: 38 0.807748152105E+03 0.52473E+01 -0.86690E+00 1874 0.713E+00 0.892E+01
DAV: 39 0.806768634381E+03 -0.97952E+00 -0.91337E-01 1992 0.243E+00 0.910E+01
DAV: 40 0.807000694701E+03 0.23206E+00 -0.10252E-01 1856 0.797E-01 0.914E+01
DAV: 41 0.805237355264E+03 -0.17633E+01 -0.11381E+00 1682 0.262E+00 0.800E+01
DAV: 42 0.801210685610E+03 -0.40267E+01 -0.26042E+00 1868 0.356E+00 0.757E+01
DAV: 43 0.799606485630E+03 -0.16042E+01 -0.85365E-01 1684 0.231E+00 0.723E+01
DAV: 44 0.796055140231E+03 -0.35513E+01 -0.63387E+00 1954 0.542E+00 0.695E+01
DAV: 45 0.797799806888E+03 0.17447E+01 -0.13631E+01 1901 0.894E+00 0.604E+01
DAV: 46 0.799282201452E+03 0.14824E+01 -0.29593E+00 2009 0.326E+00 0.590E+01
DAV: 47 0.799045177450E+03 -0.23702E+00 -0.97110E-02 1858 0.811E-01 0.588E+01
DAV: 48 0.799375329289E+03 0.33015E+00 -0.34922E-02 1768 0.513E-01 0.585E+01
DAV: 49 0.797054793846E+03 -0.23205E+01 -0.29514E+00 1873 0.403E+00 0.593E+01
DAV: 50 0.796629791112E+03 -0.42500E+00 -0.33906E-01 1936 0.135E+00 0.598E+01
DAV: 51 0.798678518315E+03 0.20487E+01 -0.74518E+00 1952 0.655E+00 0.594E+01
DAV: 52 0.796710002830E+03 -0.19685E+01 -0.30656E+00 1992 0.392E+00 0.712E+01
DAV: 53 0.796494024732E+03 -0.21598E+00 -0.33860E+00 1872 0.393E+00 0.775E+01
DAV: 54 0.797073112599E+03 0.57909E+00 -0.34262E+00 1841 0.377E+00 0.857E+01
DAV: 55 0.797680295450E+03 0.60718E+00 -0.67761E-01 2072 0.168E+00 0.881E+01
DAV: 56 0.797894306436E+03 0.21401E+00 -0.39924E+00 1715 0.450E+00 0.961E+01
DAV: 57 0.796982103640E+03 -0.91220E+00 -0.76734E-01 1587 0.195E+00 0.923E+01
DAV: 58 0.796165143454E+03 -0.81696E+00 -0.13070E+00 1795 0.238E+00 0.886E+01
DAV: 59 0.795228926333E+03 -0.93622E+00 -0.57234E+00 1912 0.535E+00 0.770E+01
DAV: 60 0.796252842600E+03 0.10239E+01 -0.18162E+00 1655 0.352E+00 0.748E+01
DAV: 61 0.804272456878E+03 0.80196E+01 -0.31078E+01 1757 0.144E+01 0.901E+01
DAV: 62 0.802178480854E+03 -0.20940E+01 -0.37517E+00 1712 0.456E+00 0.937E+01
DAV: 63 0.803316390707E+03 0.11379E+01 -0.64316E-01 1688 0.229E+00 0.943E+01
DAV: 64 0.803825819080E+03 0.50943E+00 -0.14777E-01 2128 0.929E-01 0.952E+01
DAV: 65 0.804077116101E+03 0.25130E+00 -0.47494E-01 1633 0.180E+00 0.941E+01
DAV: 66 0.838889952054E+03 0.34813E+02 -0.44525E+01 1579 0.164E+01 0.132E+02
DAV: 67 0.842753374268E+03 0.38634E+01 -0.51183E+00 1784 0.564E+00 0.128E+02
DAV: 68 0.844156102287E+03 0.14027E+01 -0.32052E-01 1993 0.132E+00 0.130E+02
DAV: 69 0.844709973650E+03 0.55387E+00 -0.28391E-02 2184 0.410E-01 0.130E+02
DAV: 70 0.842070273182E+03 -0.26397E+01 -0.27615E-01 1577 0.118E+00 0.133E+02
DAV: 71 0.930068510256E+03 0.87998E+02 -0.37702E+01 1538 0.208E+01 0.122E+02
DAV: 72 0.857996578886E+03 -0.72072E+02 -0.50520E+00 1688 0.600E+00 0.116E+02
DAV: 73 0.826394198305E+03 -0.31602E+02 -0.51141E+01 2157 0.611E+00 0.141E+02
DAV: 74 0.829301075782E+03 0.29069E+01 -0.57722E+01 2113 0.105E+01 0.120E+02
DAV: 75 0.829652541211E+03 0.35147E+00 -0.40451E+01 1556 0.114E+01 0.122E+02
DAV: 76 0.830458982979E+03 0.80644E+00 -0.11211E+02 1488 0.203E+01 0.118E+02
DAV: 77 0.830314336245E+03 -0.14465E+00 -0.10473E+01 1802 0.712E+00 0.104E+02
DAV: 78 0.826325628018E+03 -0.39887E+01 -0.22270E+00 1817 0.368E+00 0.972E+01
DAV: 79 0.826004605505E+03 -0.32102E+00 -0.23153E+00 1608 0.371E+00 0.957E+01
DAV: 80 0.838610361443E+03 0.12606E+02 -0.88019E+00 1556 0.775E+00 0.891E+01
DAV: 81 0.835614508519E+03 -0.29959E+01 -0.57423E+01 1944 0.149E+01 0.766E+01
DAV: 82 0.817412724280E+03 -0.18202E+02 -0.98502E+01 1947 0.169E+01 0.292E+02
DAV: 83 0.839932960536E+03 0.22520E+02 -0.11993E+02 1583 0.200E+01 0.733E+01
DAV: 84 0.825644280704E+03 -0.14289E+02 -0.90664E+01 2181 0.124E+01 0.152E+03
DAV: 85 0.849889873315E+03 0.24246E+02 -0.42877E+02 1782 0.318E+01 0.671E+01
DAV: 86 0.683363557405E+03 -0.16653E+03 -0.12499E+03 1984 0.108E+01 0.775E+03
DAV: 87 0.856132140556E+03 0.17277E+03 -0.18813E+03 1936 0.365E+01 0.714E+01
DAV: 88 0.876781929737E+03 0.20650E+02 -0.29404E+01 1719 0.112E+01 0.599E+01
DAV: 89 0.705281172925E+03 -0.17150E+03 -0.11599E+03 2294 0.414E+01 0.320E+03
DAV: 90 0.905405176379E+03 0.20012E+03 -0.21396E+03 1992 0.562E+01 0.606E+01
DAV: 91 0.812753740794E+03 -0.92651E+02 -0.12540E+02 1886 0.187E+01 0.358E+01
DAV: 92 0.821877317024E+03 0.91236E+01 -0.74057E+01 1694 0.208E+01 0.469E+01
DAV: 93 0.825097347819E+03 0.32200E+01 -0.21763E+01 2000 0.102E+01 0.444E+01
DAV: 94 0.839175978149E+03 0.14079E+02 -0.13576E+01 1915 0.891E+00 0.486E+01
DAV: 95 0.847117338070E+03 0.79414E+01 -0.80967E+00 2024 0.512E+00 0.485E+01
DAV: 96 0.569275195168E+02 -0.79019E+03 -0.72790E+03 2048 0.154E+01 0.412E+03
DAV: 97 0.840720411393E+03 0.78379E+03 -0.11549E+03 1839 0.353E+01 0.617E+01
DAV: 98 0.827045979260E+03 -0.13674E+02 -0.43899E+01 1960 0.106E+01 0.508E+01
DAV: 99 0.824362762256E+03 -0.26832E+01 -0.15793E+01 1912 0.729E+00 0.468E+01
DAV: 100 0.822079338493E+03 -0.22834E+01 -0.17593E+00 1880 0.301E+00 0.476E+01
DAV: 101 0.815489784697E+03 -0.65896E+01 -0.15318E+01 1740 0.883E+00 0.436E+01
DAV: 102 0.811245354564E+03 -0.42444E+01 -0.56263E+00 1624 0.669E+00 0.420E+01
DAV: 103 0.813442368389E+03 0.21970E+01 -0.10505E+01 1824 0.770E+00 0.450E+01
DAV: 104 0.814760865666E+03 0.13185E+01 -0.33355E+00 1815 0.383E+00 0.451E+01
DAV: 105 0.814294643814E+03 -0.46622E+00 -0.10577E+00 1824 0.230E+00 0.445E+01
DAV: 106 0.807601214816E+03 -0.66934E+01 -0.56158E+01 1909 0.142E+01 0.395E+01
DAV: 107 0.819420841135E+03 0.11820E+02 -0.24853E+01 1617 0.137E+01 0.360E+01
DAV: 108 0.824400402641E+03 0.49796E+01 -0.86832E+00 1992 0.663E+00 0.336E+01
DAV: 109 0.815649730290E+03 -0.87507E+01 -0.10723E+01 1848 0.695E+00 0.326E+01
DAV: 110 0.812897074586E+03 -0.27527E+01 -0.23543E+00 1769 0.384E+00 0.379E+01
DAV: 111 0.817430090940E+03 0.45330E+01 -0.39594E+00 1800 0.503E+00 0.389E+01
DAV: 112 0.816764522442E+03 -0.66557E+00 -0.39517E+00 1928 0.272E+00 0.419E+01
DAV: 113 0.817868670298E+03 0.11041E+01 -0.80706E-01 1576 0.226E+00 0.441E+01
DAV: 114 0.817513725919E+03 -0.35494E+00 -0.67371E-01 1920 0.129E+00 0.445E+01
DAV: 115 0.818071749542E+03 0.55802E+00 -0.81580E+00 1542 0.520E+00 0.415E+01
DAV: 116 0.818421746257E+03 0.35000E+00 -0.24926E+01 1722 0.128E+01 0.426E+01
DAV: 117 0.838087999261E+03 0.19666E+02 -0.14140E+01 1619 0.113E+01 0.393E+01
DAV: 118 0.853243097586E+03 0.15155E+02 -0.60478E+00 1778 0.750E+00 0.415E+01
DAV: 119 0.854079461562E+03 0.83636E+00 -0.29297E+00 2000 0.390E+00 0.446E+01
DAV: 120 0.847744423297E+03 -0.63350E+01 -0.58087E+00 1736 0.542E+00 0.415E+01
DAV: 121 0.736105416408E+03 -0.11164E+03 -0.54740E+02 2352 0.361E+01 0.118E+03
DAV: 122 0.741356849334E+03 0.52514E+01 -0.20382E+02 1863 0.239E+01 0.767E+02
DAV: 123 -0.100828840670E+03 -0.84219E+03 -0.10258E+04 1851 0.375E+01 0.156E+04
DAV: 124 0.973058725788E+03 0.10739E+04 -0.28691E+03 1747 0.504E+01 0.120E+02
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error EDDDAV: Call to ZHEGV failed. Returncode = 7 1 8 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------