Using device 0 (rank 0, local rank 0, local size 3) : Tesla V100-PCIE-16GB
Using device 0 (rank 1, local rank 1, local size 3) : Tesla V100-PCIE-16GB
Using device 0 (rank 2, local rank 2, local size 3) : Tesla V100-PCIE-16GB
running on 3 total cores
distrk: each k-point on 3 cores, 1 groups
distr: one band on 1 cores, 3 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 ClH
POSCAR found : 4 types and 9 ions
NWRITE = 1
NWRITE = 1
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 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 50 x 50 x 50...
creating 32 CUFFT plans with grid size 50 x 50 x 50...
creating 32 CUFFT plans with grid size 50 x 50 x 50...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.248011431807E+03 0.24801E+03 -0.87336E+03 417 0.806E+02
DAV: 2 0.287911381275E+02 -0.21922E+03 -0.21615E+03 582 0.176E+02
DAV: 3 -0.258088185969E+02 -0.54600E+02 -0.54450E+02 390 0.102E+02
DAV: 4 -0.288308830890E+02 -0.30221E+01 -0.29897E+01 420 0.286E+01
DAV: 5 -0.288863845856E+02 -0.55501E-01 -0.55413E-01 465 0.378E+00 0.218E+01
DAV: 6 -0.181600058203E+02 0.10726E+02 -0.53139E+01 432 0.324E+01 0.969E+00
DAV: 7 -0.176241219760E+02 0.53588E+00 -0.35957E+00 393 0.984E+00 0.614E+00
DAV: 8 -0.173944033452E+02 0.22972E+00 -0.82460E-01 516 0.513E+00 0.163E+00
DAV: 9 -0.173792713703E+02 0.15132E-01 -0.52718E-02 528 0.149E+00 0.862E-01
DAV: 10 -0.173730482220E+02 0.62231E-02 -0.30523E-02 492 0.978E-01 0.258E-01
DAV: 11 -0.173727608414E+02 0.28738E-03 -0.51729E-03 465 0.506E-01 0.108E-01
DAV: 12 -0.173727980159E+02 -0.37175E-04 -0.38853E-03 546 0.393E-01 0.957E-02
DAV: 13 -0.173743440860E+02 -0.15461E-02 -0.93958E-04 519 0.161E-01 0.648E-02
DAV: 14 -0.173759853122E+02 -0.16412E-02 -0.19376E-04 504 0.825E-02 0.356E-02
DAV: 15 -0.173779293022E+02 -0.19440E-02 -0.19702E-04 510 0.645E-02 0.162E-02
DAV: 16 -0.173792442891E+02 -0.13150E-02 -0.12554E-04 519 0.506E-02 0.150E-02
DAV: 17 -0.173797198404E+02 -0.47555E-03 -0.31814E-05 474 0.252E-02 0.767E-03