Using device 0 (rank 0, local rank 0, local size 3) : Tesla V100-PCIE-16GB
Using device 0 (rank 1, local rank 1, local size 3) : Tesla V100-PCIE-16GB
Using device 0 (rank 2, local rank 2, local size 3) : Tesla V100-PCIE-16GB
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 SiC ClH
POSCAR found : 4 types and 9 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 50 x 50 x 50...
creating 32 CUFFT plans with grid size 50 x 50 x 50...
creating 32 CUFFT plans with grid size 50 x 50 x 50...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.246181473600E+03 0.24618E+03 -0.88331E+03 426 0.806E+02
DAV: 2 0.291604493843E+02 -0.21702E+03 -0.21430E+03 579 0.176E+02
DAV: 3 -0.243661489219E+02 -0.53527E+02 -0.53375E+02 393 0.100E+02
DAV: 4 -0.269550983497E+02 -0.25889E+01 -0.25825E+01 483 0.261E+01
DAV: 5 -0.269774506175E+02 -0.22352E-01 -0.22315E-01 441 0.273E+00 0.206E+01
DAV: 6 -0.166104477087E+02 0.10367E+02 -0.24735E+01 435 0.235E+01 0.970E+00
DAV: 7 -0.159408388079E+02 0.66961E+00 -0.69714E+00 519 0.130E+01 0.481E+00
DAV: 8 -0.159145518708E+02 0.26287E-01 -0.26644E+00 453 0.504E+00 0.194E+00
DAV: 9 -0.158291386101E+02 0.85413E-01 -0.19308E-01 438 0.237E+00 0.844E-01
DAV: 10 -0.158145725564E+02 0.14566E-01 -0.26692E-01 438 0.187E+00 0.528E-01
DAV: 11 -0.158107932814E+02 0.37793E-02 -0.27011E-02 474 0.738E-01 0.248E-01
DAV: 12 -0.158125482454E+02 -0.17550E-02 -0.82274E-03 489 0.272E-01 0.220E-01
DAV: 13 -0.158132548148E+02 -0.70657E-03 -0.19275E-02 447 0.434E-01 0.922E-02
DAV: 14 -0.158140579401E+02 -0.80313E-03 -0.11616E-03 504 0.160E-01 0.954E-02
DAV: 15 -0.158158644315E+02 -0.18065E-02 -0.19756E-03 492 0.156E-01 0.438E-02
DAV: 16 -0.158167668184E+02 -0.90239E-03 -0.17254E-04 528 0.689E-02 0.440E-02
DAV: 17 -0.158172247791E+02 -0.45796E-03 -0.12045E-04 528 0.572E-02 0.114E-02