Using device 0 (rank 2, local rank 2, 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 0, local rank 0, 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 0.259865432044E+03 0.25987E+03 -0.87597E+03 417 0.806E+02
DAV: 2 0.454591390877E+02 -0.21441E+03 -0.21131E+03 519 0.177E+02
DAV: 3 -0.104967789938E+02 -0.55956E+02 -0.55846E+02 390 0.102E+02
DAV: 4 -0.132839994500E+02 -0.27872E+01 -0.27611E+01 510 0.278E+01
DAV: 5 -0.133128065085E+02 -0.28807E-01 -0.28773E-01 450 0.284E+00 0.213E+01
DAV: 6 -0.587386495068E+01 0.74389E+01 -0.59689E+01 405 0.276E+01 0.112E+01
DAV: 7 -0.459234506112E+01 0.12815E+01 -0.33699E+00 459 0.980E+00 0.633E+00
DAV: 8 -0.416249042803E+01 0.42985E+00 -0.18576E+00 429 0.668E+00 0.175E+00
DAV: 9 -0.413936363146E+01 0.23127E-01 -0.12403E-01 411 0.201E+00 0.908E-01
DAV: 10 -0.413799750952E+01 0.13661E-02 -0.46102E-02 513 0.109E+00 0.285E-01
DAV: 11 -0.413640747997E+01 0.15900E-02 -0.79416E-03 462 0.469E-01 0.112E-01
DAV: 12 -0.413704594713E+01 -0.63847E-03 -0.36320E-03 471 0.310E-01 0.812E-02
DAV: 13 -0.413963547051E+01 -0.25895E-02 -0.46264E-04 480 0.118E-01 0.448E-02
DAV: 14 -0.414252325660E+01 -0.28878E-02 -0.35640E-04 474 0.885E-02 0.219E-02
DAV: 15 -0.414405002092E+01 -0.15268E-02 -0.12008E-04 522 0.494E-02 0.130E-02
DAV: 16 -0.414541718215E+01 -0.13672E-02 -0.13853E-04 501 0.474E-02 0.659E-03
DAV: 17 -0.414574249417E+01 -0.32531E-03 -0.16715E-05 447 0.180E-02 0.465E-03
DAV: 18 -0.414596422293E+01 -0.22173E-03 -0.18258E-05 408 0.178E-02 0.222E-03