Using device 1 (rank 1, local rank 1, local size 4) : Tesla K80
Using device 3 (rank 3, local rank 3, local size 4) : Tesla K80
Using device 0 (rank 0, local rank 0, local size 4) : Tesla K80
Using device 2 (rank 2, local rank 2, local size 4) : Tesla K80
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 SiO H
POSCAR found : 3 types and 35 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 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...
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 0.538295798263E+03 0.53830E+03 -0.38193E+04 1408 0.922E+02
DAV: 2 -0.355789912609E+02 -0.57387E+03 -0.55076E+03 1864 0.170E+02
DAV: 3 -0.112550401766E+03 -0.76971E+02 -0.74851E+02 1968 0.562E+01
DAV: 4 -0.116951620927E+03 -0.44012E+01 -0.43494E+01 2000 0.152E+01
DAV: 5 -0.117175411352E+03 -0.22379E+00 -0.22306E+00 2048 0.316E+00 0.275E+01
DAV: 6 -0.122736958887E+03 -0.55615E+01 -0.26261E+02 2208 0.283E+01 0.357E+01
DAV: 7 -0.929590351336E+02 0.29778E+02 -0.16380E+02 2232 0.221E+01 0.147E+01
DAV: 8 -0.919371558532E+02 0.10219E+01 -0.52553E+01 2104 0.130E+01 0.107E+01
DAV: 9 -0.937194538451E+02 -0.17823E+01 -0.18392E+01 2032 0.877E+00 0.262E+01
DAV: 10 -0.908203705031E+02 0.28991E+01 -0.12638E+01 1896 0.500E+00 0.735E+00
DAV: 11 -0.904838753268E+02 0.33650E+00 -0.80921E+00 1920 0.352E+00 0.601E+00
DAV: 12 -0.897908174283E+02 0.69306E+00 -0.15171E+00 1928 0.186E+00 0.219E+00
DAV: 13 -0.898779624434E+02 -0.87145E-01 -0.85876E-01 1880 0.103E+00 0.794E+00
DAV: 14 -0.897900307047E+02 0.87932E-01 -0.12836E+00 1920 0.697E-01 0.240E+00
DAV: 15 -0.898986746670E+02 -0.10864E+00 -0.23803E-01 1536 0.585E-01 0.185E+00
DAV: 16 -0.899934739643E+02 -0.94799E-01 -0.25580E-01 1544 0.458E-01 0.277E+00
DAV: 17 -0.899896049347E+02 0.38690E-02 -0.19528E-02 1720 0.292E-01 0.336E+00