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 0.704583717490E+03 0.70458E+03 -0.38929E+04 705 0.936E+02
DAV: 2 0.813620157127E+02 -0.62322E+03 -0.60432E+03 900 0.179E+02
DAV: 3 -0.163616940220E+02 -0.97724E+02 -0.93610E+02 1140 0.627E+01
DAV: 4 -0.226243341742E+02 -0.62626E+01 -0.61808E+01 1023 0.173E+01
DAV: 5 -0.228916103128E+02 -0.26728E+00 -0.26598E+00 1113 0.368E+00 0.715E+01
DAV: 6 -0.135498756159E+02 0.93417E+01 -0.36470E+02 999 0.436E+01 0.421E+01
DAV: 7 -0.218388985286E+01 0.11366E+02 -0.35363E+02 1059 0.361E+01 0.265E+01
DAV: 8 0.964519904998E+01 0.11829E+02 -0.16865E+02 1050 0.259E+01 0.207E+01
DAV: 9 0.180133964474E+02 0.83682E+01 -0.39914E+01 951 0.132E+01 0.148E+01
DAV: 10 0.188677164677E+02 0.85432E+00 -0.23191E+01 996 0.887E+00 0.283E+01
DAV: 11 0.207878042315E+02 0.19201E+01 -0.20143E+01 924 0.560E+00 0.987E+00
DAV: 12 0.220809029356E+02 0.12931E+01 -0.17473E+00 888 0.299E+00 0.881E+00
DAV: 13 0.201979584620E+02 -0.18829E+01 -0.27827E+00 1041 0.346E+00 0.264E+01