Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-12GB
Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
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 0.107379104298E+04 0.10738E+04 -0.39061E+04 696 0.936E+02
DAV: 2 0.390256068495E+03 -0.68353E+03 -0.66102E+03 918 0.186E+02
DAV: 3 0.263051752577E+03 -0.12720E+03 -0.12321E+03 1122 0.722E+01
DAV: 4 0.251997219687E+03 -0.11055E+02 -0.10764E+02 1086 0.234E+01
DAV: 5 0.251514040330E+03 -0.48318E+00 -0.47743E+00 1059 0.477E+00 0.630E+02
DAV: 6 0.308781735452E+03 0.57268E+02 -0.40212E+02 1059 0.483E+01 0.199E+02
DAV: 7 0.285946282592E+03 -0.22835E+02 -0.33661E+02 1161 0.440E+01 0.706E+01
DAV: 8 0.303202528758E+03 0.17256E+02 -0.20401E+02 1095 0.317E+01 0.369E+01
DAV: 9 0.315011429635E+03 0.11809E+02 -0.10467E+02 1203 0.215E+01 0.226E+01
DAV: 10 0.316011277949E+03 0.99985E+00 -0.17012E+01 861 0.815E+00 0.237E+01
DAV: 11 0.316167660706E+03 0.15638E+00 -0.39198E+00 951 0.417E+00 0.333E+01
DAV: 12 0.316184730466E+03 0.17070E-01 -0.86220E-01 960 0.159E+00 0.248E+01
DAV: 13 0.315748988228E+03 -0.43574E+00 -0.91667E+00 978 0.301E+00 0.103E+01