Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-12GB
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 SiH O
POSCAR found : 3 types and 35 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 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 0.672339419566E+03 0.67234E+03 -0.38848E+04 696 0.935E+02
DAV: 2 0.339443789943E+02 -0.63840E+03 -0.61398E+03 906 0.180E+02
DAV: 3 -0.603042974536E+02 -0.94249E+02 -0.92489E+02 1041 0.648E+01
DAV: 4 -0.657054616637E+02 -0.54012E+01 -0.53289E+01 1032 0.174E+01
DAV: 5 -0.659119261331E+02 -0.20646E+00 -0.20529E+00 1050 0.330E+00 0.509E+01
DAV: 6 -0.349149593583E+02 0.30997E+02 -0.23630E+02 1026 0.343E+01 0.269E+01
DAV: 7 -0.455242498932E+02 -0.10609E+02 -0.20058E+02 1113 0.276E+01 0.213E+01
DAV: 8 -0.305388295415E+02 0.14985E+02 -0.92957E+01 1023 0.175E+01 0.129E+01
DAV: 9 -0.290195885726E+02 0.15192E+01 -0.53449E+01 969 0.117E+01 0.871E+00
DAV: 10 -0.271858138886E+02 0.18338E+01 -0.18874E+01 960 0.701E+00 0.658E+00
DAV: 11 -0.265015408076E+02 0.68427E+00 -0.10674E+01 1005 0.351E+00 0.411E+00
DAV: 12 -0.261816546414E+02 0.31989E+00 -0.14136E+00 996 0.191E+00 0.263E+00
DAV: 13 -0.261308390178E+02 0.50816E-01 -0.57123E-01 960 0.109E+00 0.157E+00