Using device 2 (rank 2, local rank 2, local size 4) : Tesla V100-PCIE-16GB
Using device 1 (rank 1, local rank 1, local size 4) : Tesla V100-PCIE-16GB
Using device 3 (rank 3, local rank 3, local size 4) : Tesla V100-PCIE-16GB
Using device 0 (rank 0, local rank 0, local size 4) : Tesla V100-PCIE-16GB
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 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 C F H
POSCAR found : 3 types and 12 ions
NWRITE = 1
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 CUDA streams...
creating 32 CUFFT plans with grid size 40 x 40 x 50...
creating 32 CUFFT plans with grid size 40 x 40 x 50...
creating 32 CUFFT plans with grid size 40 x 40 x 50...
creating 32 CUFFT plans with grid size 40 x 40 x 50...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.676650747294E+03 0.67665E+03 -0.24578E+04 840 0.964E+02
DAV: 2 0.119209743343E+03 -0.55744E+03 -0.54073E+03 952 0.289E+02
DAV: 3 0.248198229607E+02 -0.94390E+02 -0.91162E+02 792 0.130E+02
DAV: 4 0.221910231484E+02 -0.26288E+01 -0.25311E+01 808 0.207E+01
DAV: 5 0.221302096057E+02 -0.60814E-01 -0.59887E-01 848 0.271E+00 0.453E+01
DAV: 6 0.323564970721E+02 0.10226E+02 -0.29476E+01 744 0.297E+01 0.273E+01
DAV: 7 0.315412849954E+02 -0.81521E+00 -0.91221E+00 776 0.199E+01 0.135E+01
DAV: 8 0.344899260839E+02 0.29486E+01 -0.22629E+00 800 0.973E+00 0.605E+00
DAV: 9 0.344147429549E+02 -0.75183E-01 -0.16115E+01 752 0.865E+00 0.752E+00
DAV: 10 0.357129176512E+02 0.12982E+01 -0.38391E-01 720 0.344E+00 0.174E+00
DAV: 11 0.357344417641E+02 0.21524E-01 -0.77771E-02 768 0.144E+00 0.123E+00
DAV: 12 0.357379588151E+02 0.35171E-02 -0.37717E-02 816 0.124E+00 0.827E-01
DAV: 13 0.356350410693E+02 -0.10292E+00 -0.61454E-01 744 0.963E-01 0.340E+00
DAV: 14 0.357206035075E+02 0.85562E-01 -0.11843E-01 760 0.474E-01 0.152E+00
DAV: 15 0.357188309571E+02 -0.17726E-02 -0.32128E-01 800 0.449E-01 0.143E+00
DAV: 16 0.357004903583E+02 -0.18341E-01 -0.30381E-01 784 0.402E-01 0.202E+00
DAV: 17 0.357198561740E+02 0.19366E-01 -0.41449E-02 760 0.256E-01 0.814E-01
DAV: 18 0.357194136178E+02 -0.44256E-03 -0.53905E-02 792 0.166E-01 0.460E-01
DAV: 19 0.357184506142E+02 -0.96300E-03 -0.25416E-03 736 0.111E-01 0.158E-01
DAV: 20 0.357176090046E+02 -0.84161E-03 -0.71328E-04 728 0.562E-02 0.279E-01
DAV: 21 0.357178820359E+02 0.27303E-03 -0.24221E-03 728 0.438E-02 0.440E-02
DAV: 22 0.357177433036E+02 -0.13873E-03 -0.11931E-04 568 0.285E-02 0.314E-02
DAV: 23 0.357176888799E+02 -0.54424E-04 -0.15906E-05 608 0.124E-02 0.208E-02
DAV: 24 0.357176463387E+02 -0.42541E-04 -0.13520E-05 552 0.932E-03 0.374E-03
DAV: 25 0.357176255841E+02 -0.20755E-04 -0.70178E-06 512 0.560E-03 0.968E-03
DAV: 26 0.357176089584E+02 -0.16626E-04 -0.18435E-05 488 0.541E-03 0.158E-02