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
Using device 0 (rank 0, local rank 0, 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 0.826415210733E+03 0.82642E+03 -0.38668E+04 2816 0.924E+02
DAV: 2 0.188706426021E+03 -0.63771E+03 -0.61497E+03 3712 0.178E+02
DAV: 3 0.843420325642E+02 -0.10436E+03 -0.10204E+03 4360 0.659E+01
DAV: 4 0.773701493295E+02 -0.69719E+01 -0.68685E+01 4200 0.197E+01
DAV: 5 0.770257994940E+02 -0.34435E+00 -0.34235E+00 4376 0.413E+00 0.248E+02
DAV: 6 0.117122261912E+03 0.40096E+02 -0.22800E+02 4312 0.387E+01 0.102E+02
DAV: 7 0.664396283553E+02 -0.50683E+02 -0.31554E+02 4352 0.500E+01 0.266E+01
DAV: 8 0.112899458174E+03 0.46460E+02 -0.22819E+02 4488 0.354E+01 0.191E+01
DAV: 9 0.120230029908E+03 0.73306E+01 -0.53911E+01 4056 0.179E+01 0.135E+01
DAV: 10 0.121147616672E+03 0.91759E+00 -0.13537E+01 3400 0.862E+00 0.858E+00
DAV: 11 0.120870812044E+03 -0.27680E+00 -0.19845E+01 4072 0.464E+00 0.929E+00
DAV: 12 0.121184952747E+03 0.31414E+00 -0.62251E+00 4056 0.313E+00 0.661E+00
DAV: 13 0.121774384171E+03 0.58943E+00 -0.15042E+00 4008 0.237E+00 0.479E+00
DAV: 14 0.121941704039E+03 0.16732E+00 -0.14884E+00 4136 0.226E+00 0.217E+00
DAV: 15 0.121966496912E+03 0.24793E-01 -0.67061E-01 3776 0.131E+00 0.182E+00