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
Using device 3 (rank 3, local rank 3, local size 4) : Tesla K80
Using device 1 (rank 1, local rank 1, 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 0.505323389058E+03 0.50532E+03 -0.37932E+04 1408 0.922E+02
DAV: 2 -0.280134602022E+02 -0.53334E+03 -0.51349E+03 1784 0.163E+02
DAV: 3 -0.100047045158E+03 -0.72034E+02 -0.69563E+02 2000 0.544E+01
DAV: 4 -0.104839657028E+03 -0.47926E+01 -0.47312E+01 2120 0.154E+01
DAV: 5 -0.105008218574E+03 -0.16856E+00 -0.16768E+00 1984 0.267E+00 0.266E+01
DAV: 6 -0.100969107712E+03 0.40391E+01 -0.19421E+02 2168 0.272E+01 0.342E+01
DAV: 7 -0.832176259874E+02 0.17751E+02 -0.81170E+01 2064 0.172E+01 0.145E+01
DAV: 8 -0.800268577194E+02 0.31908E+01 -0.27712E+01 2184 0.111E+01 0.108E+01
DAV: 9 -0.807905660404E+02 -0.76371E+00 -0.13564E+01 2016 0.834E+00 0.252E+01
DAV: 10 -0.789486831319E+02 0.18419E+01 -0.13461E+01 1848 0.487E+00 0.728E+00
DAV: 11 -0.779059320108E+02 0.10428E+01 -0.44024E+00 1936 0.412E+00 0.447E+00
DAV: 12 -0.778622851874E+02 0.43647E-01 -0.13437E+00 1968 0.214E+00 0.115E+01
DAV: 13 -0.777240278482E+02 0.13826E+00 -0.35335E+00 1840 0.110E+00 0.430E+00
DAV: 14 -0.776783758357E+02 0.45652E-01 -0.12955E-01 1720 0.808E-01 0.175E+00
DAV: 15 -0.776997389018E+02 -0.21363E-01 -0.95935E-02 1752 0.405E-01 0.297E+00
DAV: 16 -0.776792670616E+02 0.20472E-01 -0.98673E-02 1656 0.387E-01 0.309E+00
DAV: 17 -0.776841110289E+02 -0.48440E-02 -0.80186E-02 1696 0.402E-01 0.111E+00
DAV: 18 -0.776747659251E+02 0.93451E-02 -0.13561E-02 1536 0.363E-01 0.935E-01