Using device 2 (rank 2, local rank 2, local size 4) : Tesla K80
Using device 0 (rank 0, local rank 0, local size 4) : Tesla K80
Using device 1 (rank 1, local rank 1, local size 4) : Tesla K80
Using device 3 (rank 3, local rank 3, local size 4) : Tesla K80
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 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 SiO H
POSCAR found : 3 types and 35 ions
NWRITE = 1
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 CUDA streams...
creating 32 CUFFT plans with grid size 54 x 96 x 40...
creating 32 CUFFT plans with grid size 54 x 96 x 40...
creating 32 CUFFT plans with grid size 54 x 96 x 40...
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 0.522977235662E+03 0.52298E+03 -0.37559E+04 1408 0.918E+02
DAV: 2 -0.130473217219E+02 -0.53602E+03 -0.51571E+03 1776 0.162E+02
DAV: 3 -0.874714819604E+02 -0.74424E+02 -0.72618E+02 2152 0.557E+01
DAV: 4 -0.914839868340E+02 -0.40125E+01 -0.39344E+01 1960 0.145E+01
DAV: 5 -0.916638630150E+02 -0.17988E+00 -0.17884E+00 2192 0.306E+00 0.245E+01
DAV: 6 -0.752397729690E+02 0.16424E+02 -0.10127E+02 2120 0.258E+01 0.140E+01
DAV: 7 -0.782564943253E+02 -0.30167E+01 -0.49986E+01 2016 0.162E+01 0.117E+01
DAV: 8 -0.740772057177E+02 0.41793E+01 -0.35463E+01 2120 0.107E+01 0.709E+00
DAV: 9 -0.733071538553E+02 0.77005E+00 -0.55125E+00 2024 0.508E+00 0.365E+00
DAV: 10 -0.733265555258E+02 -0.19402E-01 -0.22820E+00 2032 0.294E+00 0.220E+00
DAV: 11 -0.732513593531E+02 0.75196E-01 -0.10610E+00 2176 0.230E+00 0.135E+00
DAV: 12 -0.732167883981E+02 0.34571E-01 -0.56319E-01 2032 0.142E+00 0.103E+00
DAV: 13 -0.732008301673E+02 0.15958E-01 -0.19288E-01 2032 0.728E-01 0.633E-01
DAV: 14 -0.731987464962E+02 0.20837E-02 -0.42063E-02 1952 0.418E-01 0.353E-01
DAV: 15 -0.732007892576E+02 -0.20428E-02 -0.10257E-02 1912 0.243E-01 0.142E-01
DAV: 16 -0.732020885717E+02 -0.12993E-02 -0.44331E-03 1904 0.140E-01 0.976E-02
DAV: 17 -0.732025990364E+02 -0.51046E-03 -0.16335E-03 1944 0.753E-02 0.754E-02