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 0.155148019517E+04 0.15515E+04 -0.39240E+04 1392 0.935E+02
DAV: 2 0.765874321922E+03 -0.78561E+03 -0.75169E+03 1952 0.203E+02
DAV: 3 0.575637766053E+03 -0.19024E+03 -0.18439E+03 2656 0.845E+01
DAV: 4 0.555315105948E+03 -0.20323E+02 -0.19769E+02 2072 0.306E+01
DAV: 5 0.554221406181E+03 -0.10937E+01 -0.10783E+01 2112 0.799E+00 0.124E+03
DAV: 6 0.609029283753E+03 0.54808E+02 -0.11444E+03 2302 0.882E+01 0.230E+02
DAV: 7 0.653635641373E+03 0.44606E+02 -0.35630E+02 2129 0.553E+01 0.344E+02
DAV: 8 0.673858191631E+03 0.20223E+02 -0.25823E+02 2152 0.371E+01 0.227E+02
DAV: 9 0.667666901944E+03 -0.61913E+01 -0.78273E+01 2056 0.158E+01 0.181E+02
DAV: 10 0.670938490175E+03 0.32716E+01 -0.16708E+01 1784 0.920E+00 0.223E+02
DAV: 11 0.661865426921E+03 -0.90731E+01 -0.18677E+01 1720 0.678E+00 0.267E+02
DAV: 12 0.657740409978E+03 -0.41250E+01 -0.66337E+00 2208 0.603E+00 0.301E+02
DAV: 13 0.638527920280E+03 -0.19212E+02 -0.16512E+02 1801 0.312E+01 0.420E+02
DAV: 14 0.639703488332E+03 0.11756E+01 -0.10973E+02 1985 0.199E+01 0.519E+02
DAV: 15 0.634678099567E+03 -0.50254E+01 -0.28324E+01 2008 0.988E+00 0.560E+02
DAV: 16 0.634322439889E+03 -0.35566E+00 -0.11510E+01 1872 0.678E+00 0.525E+02
DAV: 17 0.646995423223E+03 0.12673E+02 -0.10642E+01 1831 0.815E+00 0.405E+02
DAV: 18 0.654924106334E+03 0.79287E+01 -0.40803E+00 2024 0.508E+00 0.334E+02
DAV: 19 0.672474694895E+03 0.17551E+02 -0.33845E+01 1494 0.137E+01 0.338E+02
DAV: 20 0.668883646805E+03 -0.35910E+01 -0.13371E+01 1880 0.683E+00 0.360E+02
DAV: 21 0.676269381621E+03 0.73857E+01 -0.56614E+00 1936 0.400E+00 0.308E+02
DAV: 22 0.675884248017E+03 -0.38513E+00 -0.46033E+00 1912 0.544E+00 0.239E+02
DAV: 23 0.676714228146E+03 0.82998E+00 -0.16847E+00 2040 0.311E+00 0.213E+02
DAV: 24 0.676050448933E+03 -0.66378E+00 -0.22073E-01 1872 0.122E+00 0.212E+02
DAV: 25 0.675730358225E+03 -0.32009E+00 -0.12829E-01 2216 0.889E-01 0.204E+02
DAV: 26 0.680143970529E+03 0.44136E+01 -0.20343E+00 1648 0.323E+00 0.197E+02
DAV: 27 0.680504288086E+03 0.36032E+00 -0.39448E-01 1928 0.119E+00 0.198E+02
DAV: 28 0.681680121494E+03 0.11758E+01 -0.20846E+00 1544 0.229E+00 0.211E+02
DAV: 29 0.682465101237E+03 0.78498E+00 -0.82896E-01 1848 0.168E+00 0.217E+02
DAV: 30 0.686040737972E+03 0.35756E+01 -0.44391E+00 1624 0.385E+00 0.208E+02
DAV: 31 0.686338967800E+03 0.29823E+00 -0.61213E-01 1883 0.155E+00 0.202E+02
DAV: 32 0.685999776643E+03 -0.33919E+00 -0.74437E-02 1880 0.680E-01 0.203E+02
DAV: 33 0.686061306998E+03 0.61530E-01 -0.25365E-01 1633 0.100E+00 0.204E+02
DAV: 34 0.689837922851E+03 0.37766E+01 -0.67063E+00 1532 0.541E+00 0.185E+02
DAV: 35 0.689342003960E+03 -0.49592E+00 -0.14011E+00 2024 0.250E+00 0.166E+02
DAV: 36 0.689186390666E+03 -0.15561E+00 -0.75536E-02 2168 0.706E-01 0.165E+02
DAV: 37 0.689185830460E+03 -0.56021E-03 -0.53347E-02 1816 0.603E-01 0.160E+02
DAV: 38 0.688531311621E+03 -0.65452E+00 -0.13963E-01 1554 0.865E-01 0.156E+02
DAV: 39 0.687203078650E+03 -0.13282E+01 -0.18182E+00 1664 0.322E+00 0.130E+02
DAV: 40 0.687177176399E+03 -0.25902E-01 -0.47244E-01 2064 0.150E+00 0.116E+02
DAV: 41 0.686759969885E+03 -0.41721E+00 -0.67018E-02 1888 0.619E-01 0.115E+02
DAV: 42 0.687037312231E+03 0.27734E+00 -0.28102E-02 1744 0.375E-01 0.115E+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!!! <---- |
| |
-----------------------------------------------------------------------------