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 2 (rank 2, local rank 2, 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 0.967410123939E+03 0.96741E+03 -0.38548E+04 2816 0.926E+02
DAV: 2 0.352583561954E+03 -0.61483E+03 -0.59064E+03 3752 0.175E+02
DAV: 3 0.239049674034E+03 -0.11353E+03 -0.11037E+03 4752 0.653E+01
DAV: 4 0.227459350692E+03 -0.11590E+02 -0.11293E+02 4240 0.223E+01
DAV: 5 0.226886566396E+03 -0.57278E+00 -0.56862E+00 4064 0.539E+00 0.905E+02
DAV: 6 0.251907489589E+03 0.25021E+02 -0.54437E+02 4744 0.532E+01 0.542E+01
DAV: 7 0.215944937717E+03 -0.35963E+02 -0.50063E+02 4464 0.477E+01 0.305E+02
DAV: 8 0.280266505192E+03 0.64322E+02 -0.25369E+02 4216 0.344E+01 0.246E+02
DAV: 9 0.282292651617E+03 0.20261E+01 -0.93052E+01 4096 0.189E+01 0.119E+02
DAV: 10 0.281244112872E+03 -0.10485E+01 -0.21362E+01 3816 0.942E+00 0.720E+01
DAV: 11 0.281682454100E+03 0.43834E+00 -0.19312E+01 4016 0.700E+00 0.110E+02
DAV: 12 0.283004372873E+03 0.13219E+01 -0.12786E+01 4488 0.545E+00 0.935E+01
DAV: 13 0.283186353598E+03 0.18198E+00 -0.55696E+00 4600 0.415E+00 0.957E+01
DAV: 14 0.283878675157E+03 0.69232E+00 -0.33373E+00 3944 0.370E+00 0.504E+01