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 0.298420308121E+04 0.29842E+04 -0.39621E+04 1440 0.937E+02
DAV: 2 0.210771984247E+04 -0.87648E+03 -0.84506E+03 2024 0.218E+02
DAV: 3 0.188287081512E+04 -0.22485E+03 -0.21461E+03 2744 0.892E+01
DAV: 4 0.184034121939E+04 -0.42530E+02 -0.41341E+02 2128 0.439E+01
DAV: 5 0.183753831190E+04 -0.28029E+01 -0.27571E+01 2064 0.131E+01 0.185E+03
DAV: 6 0.188382209843E+04 0.46284E+02 -0.16137E+03 2440 0.127E+02 0.454E+02
DAV: 7 0.198828840608E+04 0.10447E+03 -0.41289E+02 1862 0.594E+01 0.312E+02
DAV: 8 0.199489642585E+04 0.66080E+01 -0.14179E+02 2049 0.332E+01 0.356E+02
DAV: 9 0.199307699088E+04 -0.18194E+01 -0.24622E+01 2024 0.119E+01 0.353E+02
DAV: 10 0.199156929371E+04 -0.15077E+01 -0.13512E+01 2136 0.456E+00 0.347E+02
DAV: 11 0.197214151094E+04 -0.19428E+02 -0.46302E+01 1944 0.128E+01 0.310E+02
DAV: 12 0.196868993031E+04 -0.34516E+01 -0.26139E+01 1856 0.103E+01 0.286E+02
DAV: 13 0.194874697231E+04 -0.19943E+02 -0.29309E+02 2128 0.315E+01 0.213E+02
DAV: 14 0.170147947624E+04 -0.24727E+03 -0.12091E+03 2448 0.679E+01 0.958E+02
DAV: 15 0.302388146897E+04 0.13224E+04 -0.44859E+05 1392 0.875E+03 0.361E+02
DAV: 16 0.184799652458E+04 -0.11759E+04 -0.10138E+03 2341 0.521E+01 0.338E+02
DAV: 17 0.184349332234E+04 -0.45032E+01 -0.53909E+02 1994 0.505E+01 0.350E+02
DAV: 18 0.169154844655E+04 -0.15194E+03 -0.26972E+02 2080 0.385E+01 0.507E+02
DAV: 19 0.182074335388E+04 0.12919E+03 -0.28305E+02 1706 0.414E+01 0.485E+02
DAV: 20 0.179778674448E+04 -0.22957E+02 -0.10721E+02 2001 0.271E+01 0.433E+02
DAV: 21 0.190649199908E+04 0.10871E+03 -0.16465E+02 1625 0.357E+01 0.368E+02
DAV: 22 0.205354411766E+04 0.14705E+03 -0.48022E+02 1897 0.608E+01 0.149E+02
DAV: 23 0.202782691280E+04 -0.25717E+02 -0.16054E+02 1761 0.331E+01 0.265E+02
DAV: 24 0.200617489220E+04 -0.21652E+02 -0.65714E+01 1912 0.169E+01 0.166E+02
DAV: 25 0.199819047486E+04 -0.79844E+01 -0.50725E+01 1952 0.156E+01 0.837E+01
DAV: 26 0.198860766726E+04 -0.95828E+01 -0.33402E+01 2168 0.106E+01 0.900E+01
DAV: 27 0.201047898132E+04 0.21871E+02 -0.48722E+01 1914 0.152E+01 0.683E+01
DAV: 28 0.200588917689E+04 -0.45898E+01 -0.87254E+00 1792 0.668E+00 0.798E+01
DAV: 29 0.200325045295E+04 -0.26387E+01 -0.18703E+00 1920 0.285E+00 0.759E+01
DAV: 30 0.200173162237E+04 -0.15188E+01 -0.12242E+00 1776 0.167E+00 0.738E+01
DAV: 31 0.200203179582E+04 0.30017E+00 -0.18628E-01 2048 0.784E-01 0.690E+01
DAV: 32 0.200224168187E+04 0.20989E+00 -0.18163E-02 1984 0.310E-01 0.697E+01
DAV: 33 0.200183932671E+04 -0.40236E+00 -0.49332E-02 1648 0.404E-01 0.682E+01
DAV: 34 0.200096473245E+04 -0.87459E+00 -0.29032E-01 1952 0.864E-01 0.732E+01
DAV: 35 0.200116644902E+04 0.20172E+00 -0.12757E-01 1736 0.742E-01 0.730E+01
DAV: 36 0.200049876222E+04 -0.66769E+00 -0.34849E-01 1640 0.783E-01 0.708E+01
DAV: 37 0.200107647549E+04 0.57771E+00 -0.84930E-02 1912 0.645E-01 0.686E+01
DAV: 38 0.200291826008E+04 0.18418E+01 -0.67336E-01 1888 0.196E+00 0.639E+01
DAV: 39 0.200335531064E+04 0.43705E+00 -0.65697E-01 1712 0.133E+00 0.644E+01
DAV: 40 0.200327594386E+04 -0.79367E-01 -0.67759E-02 2024 0.526E-01 0.652E+01
DAV: 41 0.200325144821E+04 -0.24496E-01 -0.43959E-03 1864 0.157E-01 0.656E+01
DAV: 42 0.200542225077E+04 0.21708E+01 -0.43143E+00 1896 0.295E+00 0.591E+01
DAV: 43 0.200273484604E+04 -0.26874E+01 -0.22350E+00 1608 0.222E+00 0.551E+01
DAV: 44 0.200348605236E+04 0.75121E+00 -0.16947E+00 1784 0.246E+00 0.510E+01
DAV: 45 0.200522527215E+04 0.17392E+01 -0.10004E+01 1801 0.415E+00 0.514E+01
DAV: 46 0.200347886433E+04 -0.17464E+01 -0.63901E-01 1712 0.165E+00 0.498E+01
-----------------------------------------------------------------------------
| |
| 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!!! <---- |
| |
-----------------------------------------------------------------------------