Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-12GB
Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
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 SiH O
POSCAR found : 3 types and 35 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 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 0.739497743459E+03 0.73950E+03 -0.39275E+04 705 0.937E+02
DAV: 2 0.487261527722E+02 -0.69077E+03 -0.66375E+03 951 0.188E+02
DAV: 3 -0.554384438738E+02 -0.10416E+03 -0.10220E+03 1062 0.667E+01
DAV: 4 -0.622975666226E+02 -0.68591E+01 -0.67537E+01 1068 0.195E+01
DAV: 5 -0.625679823426E+02 -0.27042E+00 -0.26871E+00 1005 0.348E+00 0.420E+01
DAV: 6 -0.321611707187E+02 0.30407E+02 -0.33317E+02 1026 0.421E+01 0.366E+01
DAV: 7 -0.256544177104E+02 0.65068E+01 -0.25444E+02 1077 0.327E+01 0.231E+01
DAV: 8 -0.166508059388E+02 0.90036E+01 -0.50699E+01 999 0.159E+01 0.155E+01
DAV: 9 -0.156025277900E+02 0.10483E+01 -0.36456E+01 1068 0.130E+01 0.107E+01
DAV: 10 -0.164420309460E+02 -0.83950E+00 -0.62988E+01 978 0.719E+00 0.852E+00
DAV: 11 -0.139862016659E+02 0.24558E+01 -0.59430E+00 996 0.432E+00 0.686E+00
DAV: 12 -0.135893408010E+02 0.39686E+00 -0.11499E+01 978 0.361E+00 0.388E+00
DAV: 13 -0.139578408589E+02 -0.36850E+00 -0.90474E+00 888 0.196E+00 0.734E+00