Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-16GB
Using device 1 (rank 1, local rank 1, local size 3) : Quadro GP100
Using device 2 (rank 2, local rank 2, local size 3) : Tesla P100-PCIE-16GB
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 SiO ClH N
POSCAR found : 5 types and 75 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 126 x 40...
creating 32 CUFFT plans with grid size 54 x 126 x 40...
creating 32 CUFFT plans with grid size 54 x 126 x 40...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.286515014168E+04 0.28652E+04 -0.10321E+05 3168 0.103E+03
DAV: 2 0.907433901904E+03 -0.19577E+04 -0.18845E+04 3996 0.248E+02
DAV: 3 0.583519506027E+03 -0.32391E+03 -0.31087E+03 3942 0.103E+02
DAV: 4 0.566017581366E+03 -0.17502E+02 -0.17175E+02 4086 0.241E+01
DAV: 5 0.565223125477E+03 -0.79446E+00 -0.78842E+00 4509 0.458E+00 0.203E+02
DAV: 6 0.569913865618E+03 0.46907E+01 -0.58418E+02 4158 0.526E+01 0.132E+02
DAV: 7 0.380489412013E+03 -0.18942E+03 -0.14586E+03 4662 0.736E+01 0.767E+01
DAV: 8 0.476338059981E+03 0.95849E+02 -0.14305E+03 4743 0.719E+01 0.680E+01
DAV: 9 0.580195267390E+03 0.10386E+03 -0.51588E+02 4473 0.527E+01 0.490E+01
DAV: 10 0.613760639048E+03 0.33565E+02 -0.21695E+02 4023 0.283E+01 0.374E+01
DAV: 11 0.618564253008E+03 0.48036E+01 -0.94600E+01 3816 0.146E+01 0.318E+01
DAV: 12 0.636241799839E+03 0.17678E+02 -0.20546E+01 4131 0.137E+01 0.280E+01
DAV: 13 0.643991619272E+03 0.77498E+01 -0.15513E+01 3555 0.930E+00 0.204E+01
DAV: 14 0.646578295969E+03 0.25867E+01 -0.72475E+00 4104 0.615E+00 0.189E+01
DAV: 15 0.646332569918E+03 -0.24573E+00 -0.77185E+00 4230 0.339E+00 0.162E+01
DAV: 16 0.645389780932E+03 -0.94279E+00 -0.11915E+01 3690 0.232E+00 0.185E+01
DAV: 17 0.642819281550E+03 -0.25705E+01 -0.23863E+01 3609 0.387E+00 0.186E+01
DAV: 18 0.642548879316E+03 -0.27040E+00 -0.42746E+00 3915 0.288E+00 0.175E+01
DAV: 19 0.643019063211E+03 0.47018E+00 -0.24281E+00 4131 0.255E+00 0.214E+01
DAV: 20 0.643884321835E+03 0.86526E+00 -0.87611E-01 3357 0.120E+00 0.170E+01
DAV: 21 0.644198164039E+03 0.31384E+00 -0.12940E-01 3735 0.532E-01 0.165E+01
DAV: 22 0.644197479684E+03 -0.68435E-03 -0.34589E-02 3618 0.216E-01 0.165E+01
DAV: 23 0.644299401509E+03 0.10192E+00 -0.14456E+00 4284 0.727E-01 0.184E+01
DAV: 24 0.645273042340E+03 0.97364E+00 -0.13158E+00 3951 0.801E-01 0.153E+01
DAV: 25 0.645275469574E+03 0.24272E-02 -0.42002E-02 3276 0.409E-01 0.152E+01
DAV: 26 0.645779508051E+03 0.50404E+00 -0.36392E-01 4536 0.506E-01 0.139E+01
DAV: 27 0.646194608470E+03 0.41510E+00 -0.19742E+00 4653 0.117E+00 0.164E+01
DAV: 28 0.646052646827E+03 -0.14196E+00 -0.49586E-01 3546 0.738E-01 0.190E+01
DAV: 29 0.646951497360E+03 0.89885E+00 -0.42914E-01 4140 0.727E-01 0.150E+01
DAV: 30 0.646898536980E+03 -0.52960E-01 -0.66438E-02 3411 0.376E-01 0.154E+01
DAV: 31 0.646952144316E+03 0.53607E-01 -0.24424E-02 3654 0.195E-01 0.151E+01
DAV: 32 0.647353705754E+03 0.40156E+00 -0.52281E-01 4167 0.703E-01 0.751E+00
DAV: 33 0.647209318064E+03 -0.14439E+00 -0.28152E-01 3546 0.526E-01 0.674E+00
DAV: 34 0.647339409847E+03 0.13009E+00 -0.11461E-01 3420 0.347E-01 0.483E+00