Using device 0 (rank 0, local rank 0, local size 1) : Tesla V100-SXM2-16GB
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 SnC H O
POSCAR found : 4 types and 27 ions
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
-----------------------------------------------------------------------------
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 80 x 80 x 80...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.715376562922E+03 0.71538E+03 -0.21190E+04 332 0.584E+02
DAV: 2 0.149948981592E+03 -0.56543E+03 -0.51853E+03 440 0.154E+02
DAV: 3 -0.818347003173E+02 -0.23178E+03 -0.22933E+03 368 0.103E+02
DAV: 4 -0.100433595668E+03 -0.18599E+02 -0.18512E+02 352 0.416E+01
DAV: 5 -0.100870135536E+03 -0.43654E+00 -0.43582E+00 392 0.669E+00 0.407E+01
DAV: 6 -0.191787959993E+02 0.81691E+02 -0.17775E+02 343 0.555E+01 0.172E+01
DAV: 7 -0.592400294380E+02 -0.40061E+02 -0.40491E+01 336 0.208E+01 0.113E+01
DAV: 8 -0.662106533639E+02 -0.69706E+01 -0.46510E+00 360 0.104E+01 0.720E+00
DAV: 9 -0.876814957917E+02 -0.21471E+02 -0.10210E+01 317 0.952E+00 0.324E+00
DAV: 10 -0.969704702010E+02 -0.92890E+01 -0.51220E+00 296 0.538E+00 0.268E+00
DAV: 11 -0.988399142131E+02 -0.18694E+01 -0.77434E-01 320 0.248E+00 0.547E+00
DAV: 12 -0.984023025675E+02 0.43761E+00 -0.73861E-02 304 0.908E-01 0.548E+00
DAV: 13 -0.985892766896E+02 -0.18697E+00 -0.19301E-01 336 0.121E+00 0.586E+00
DAV: 14 -0.985324373571E+02 0.56839E-01 -0.17309E-02 336 0.384E-01 0.577E+00
DAV: 15 -0.980756303642E+02 0.45681E+00 -0.33196E+00 279 0.470E+00 0.232E+00
DAV: 16 -0.993817865113E+02 -0.13062E+01 -0.30778E+00 271 0.565E+00 0.608E+00
DAV: 17 -0.997179082372E+02 -0.33612E+00 -0.20119E-01 368 0.156E+00 0.623E+00
DAV: 18 -0.996309474103E+02 0.86961E-01 -0.13720E+00 293 0.331E+00 0.894E+00
DAV: 19 -0.981247336864E+02 0.15062E+01 -0.94757E+00 322 0.756E+00 0.946E+00
DAV: 20 -0.966810475533E+02 0.14437E+01 -0.20837E+00 285 0.338E+00 0.125E+01
DAV: 21 -0.963923964540E+02 0.28865E+00 -0.23733E-01 384 0.130E+00 0.133E+01
DAV: 22 -0.965783211509E+02 -0.18592E+00 -0.13289E-02 360 0.377E-01 0.131E+01
DAV: 23 -0.962084194097E+02 0.36990E+00 -0.80369E-02 296 0.808E-01 0.137E+01
DAV: 24 -0.459425291922E+03 -0.36322E+03 -0.35814E+03 389 0.510E+00 0.638E+01
DAV: 25 -0.915546962039E+02 0.36787E+03 -0.43064E+03 309 0.678E+01 0.183E+01
DAV: 26 -0.968904966166E+02 -0.53358E+01 -0.88812E+00 306 0.775E+00 0.120E+01
DAV: 27 -0.986039159869E+02 -0.17134E+01 -0.90854E-01 309 0.266E+00 0.107E+01
DAV: 28 -0.984690810386E+02 0.13483E+00 -0.14135E-01 368 0.121E+00 0.102E+01
DAV: 29 -0.985817040516E+02 -0.11262E+00 -0.14250E-02 360 0.402E-01 0.994E+00
DAV: 30 -0.986397570724E+02 -0.58053E-01 -0.29264E-03 392 0.171E-01 0.982E+00
DAV: 31 -0.987639686083E+02 -0.12421E+00 -0.84465E-03 344 0.293E-01 0.962E+00
DAV: 32 -0.975394461217E+02 0.12245E+01 -0.13371E+00 304 0.346E+00 0.130E+01
DAV: 33 -0.954697832441E+02 0.20697E+01 -0.20832E+00 360 0.457E+00 0.175E+01
DAV: 34 -0.950694407860E+02 0.40034E+00 -0.18359E-01 384 0.147E+00 0.183E+01
DAV: 35 -0.954158482579E+02 -0.34641E+00 -0.11892E-01 312 0.849E-01 0.180E+01
DAV: 36 -0.981706924443E+02 -0.27548E+01 -0.24951E+00 312 0.497E+00 0.135E+01
DAV: 37 -0.982830925300E+02 -0.11240E+00 -0.58611E-01 277 0.286E+00 0.143E+01
DAV: 38 -0.995868330565E+02 -0.13037E+01 -0.39599E-01 285 0.162E+00 0.137E+01
DAV: 39 -0.102549550671E+03 -0.29627E+01 -0.11714E+00 317 0.387E+00 0.932E+00
DAV: 40 -0.104136825014E+03 -0.15873E+01 -0.59987E-01 320 0.221E+00 0.713E+00
DAV: 41 -0.104710982212E+03 -0.57416E+00 -0.12391E-01 328 0.874E-01 0.636E+00
DAV: 42 -0.105219619140E+03 -0.50864E+00 -0.16704E-01 296 0.994E-01 0.550E+00
DAV: 43 -0.104123324237E+03 0.10963E+01 -0.29872E+01 274 0.149E+01 0.679E+00
DAV: 44 -0.105424008195E+03 -0.13007E+01 -0.59819E+00 308 0.532E+00 0.453E+00
DAV: 45 -0.106018738882E+03 -0.59473E+00 -0.57459E-01 336 0.184E+00 0.413E+00
DAV: 46 -0.106292894181E+03 -0.27416E+00 -0.16174E-01 293 0.102E+00 0.360E+00
DAV: 47 -0.106742075318E+03 -0.44918E+00 -0.37482E-01 288 0.146E+00 0.291E+00
DAV: 48 -0.107044531901E+03 -0.30246E+00 -0.17716E-01 336 0.967E-01 0.264E+00
-----------------------------------------------------------------------------
| |
| 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!!! <---- |
| |
-----------------------------------------------------------------------------