Using device 2 (rank 2, local rank 2, local size 4) : Tesla K80
Using device 0 (rank 0, local rank 0, 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 0.694661948028E+03 0.69466E+03 -0.39387E+04 2992 0.925E+02
DAV: 2 0.332505562812E+02 -0.66141E+03 -0.63753E+03 3920 0.180E+02
DAV: 3 -0.588716629573E+02 -0.92122E+02 -0.90357E+02 3872 0.647E+01
DAV: 4 -0.635507278061E+02 -0.46791E+01 -0.46390E+01 4296 0.167E+01
DAV: 5 -0.636875175812E+02 -0.13679E+00 -0.13615E+00 4136 0.263E+00 0.902E+01
DAV: 6 -0.444752279002E+02 0.19212E+02 -0.35667E+02 4288 0.374E+01 0.488E+01
DAV: 7 -0.759355386497E+02 -0.31460E+02 -0.84787E+02 4640 0.496E+01 0.357E+01
DAV: 8 -0.299206419162E+02 0.46015E+02 -0.21082E+02 4040 0.317E+01 0.163E+01
DAV: 9 -0.175728286382E+02 0.12348E+02 -0.44308E+01 3952 0.142E+01 0.919E+00
DAV: 10 -0.143563343855E+02 0.32165E+01 -0.20949E+01 4016 0.772E+00 0.602E+00
DAV: 11 -0.144346406019E+02 -0.78306E-01 -0.13588E+01 4192 0.517E+00 0.670E+00
DAV: 12 -0.136357041574E+02 0.79894E+00 -0.61041E+00 4128 0.344E+00 0.394E+00
DAV: 13 -0.134901368652E+02 0.14557E+00 -0.23162E+00 4096 0.201E+00 0.267E+00
DAV: 14 -0.134260159647E+02 0.64121E-01 -0.44063E-01 3776 0.129E+00 0.155E+00
DAV: 15 -0.134287709443E+02 -0.27550E-02 -0.50535E-01 4008 0.868E-01 0.131E+00