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
Using device 0 (rank 0, local rank 0, 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 0.202927291016E+04 0.20293E+04 -0.10131E+05 3105 0.103E+03
DAV: 2 0.184753816066E+03 -0.18445E+04 -0.17680E+04 4041 0.236E+02
DAV: 3 -0.129579701245E+03 -0.31433E+03 -0.29907E+03 4077 0.983E+01
DAV: 4 -0.146704520395E+03 -0.17125E+02 -0.16772E+02 4176 0.236E+01
DAV: 5 -0.147383692030E+03 -0.67917E+00 -0.66818E+00 4455 0.420E+00 0.173E+02
DAV: 6 -0.120159943570E+03 0.27224E+02 -0.35677E+02 4077 0.451E+01 0.984E+01
DAV: 7 -0.215581291330E+03 -0.95421E+02 -0.65736E+02 4869 0.528E+01 0.683E+01
DAV: 8 -0.220034633045E+03 -0.44533E+01 -0.58238E+02 4446 0.539E+01 0.633E+01
DAV: 9 -0.995218080450E+02 0.12051E+03 -0.49928E+02 4464 0.371E+01 0.416E+01
DAV: 10 -0.881962540907E+02 0.11326E+02 -0.19378E+02 4086 0.259E+01 0.267E+01
DAV: 11 -0.831600185261E+02 0.50362E+01 -0.48198E+01 4041 0.143E+01 0.236E+01
DAV: 12 -0.776038633262E+02 0.55562E+01 -0.39232E+01 3735 0.905E+00 0.146E+01
DAV: 13 -0.788280844849E+02 -0.12242E+01 -0.17952E+01 4230 0.542E+00 0.171E+01
DAV: 14 -0.771804810312E+02 0.16476E+01 -0.13880E+01 4041 0.402E+00 0.133E+01
DAV: 15 -0.780549535748E+02 -0.87447E+00 -0.58406E+00 4086 0.316E+00 0.135E+01
DAV: 16 -0.762765207712E+02 0.17784E+01 -0.80074E+00 4158 0.334E+00 0.123E+01
DAV: 17 -0.763481569802E+02 -0.71636E-01 -0.12146E+01 4554 0.325E+00 0.996E+00
DAV: 18 -0.766722164691E+02 -0.32406E+00 -0.53273E+00 3825 0.214E+00 0.170E+01
DAV: 19 -0.756771047027E+02 0.99511E+00 -0.32075E+00 3933 0.136E+00 0.803E+00
DAV: 20 -0.755221041927E+02 0.15500E+00 -0.12814E+00 4572 0.147E+00 0.655E+00
DAV: 21 -0.754867945661E+02 0.35310E-01 -0.22025E-01 3294 0.602E-01 0.544E+00
DAV: 22 -0.754358263477E+02 0.50968E-01 -0.15047E-01 4014 0.293E-01 0.432E+00
DAV: 23 -0.755179655132E+02 -0.82139E-01 -0.37985E-01 4023 0.372E-01 0.496E+00
DAV: 24 -0.752215895085E+02 0.29638E+00 -0.19425E-01 3996 0.639E-01 0.383E+00
DAV: 25 -0.753229476512E+02 -0.10136E+00 -0.15069E-01 3672 0.417E-01 0.370E+00
DAV: 26 -0.753844582195E+02 -0.61511E-01 -0.14569E-02 3249 0.301E-01 0.369E+00
DAV: 27 -0.753682797796E+02 0.16178E-01 -0.56567E-02 3906 0.195E-01 0.356E+00
DAV: 28 -0.753978958206E+02 -0.29616E-01 -0.17785E-01 3438 0.286E-01 0.381E+00
DAV: 29 -0.753954490153E+02 0.24468E-02 -0.18070E-01 3492 0.429E-01 0.383E+00
DAV: 30 -0.753740750295E+02 0.21374E-01 -0.39907E-01 3501 0.423E-01 0.321E+00
DAV: 31 -0.754079855834E+02 -0.33911E-01 -0.27997E-02 3447 0.160E-01 0.350E+00
DAV: 32 -0.753978932796E+02 0.10092E-01 -0.97378E-01 3555 0.330E-01 0.320E+00
DAV: 33 -0.753696898010E+02 0.28203E-01 -0.53601E-02 3402 0.206E-01 0.282E+00
DAV: 34 -0.753554636489E+02 0.14226E-01 -0.31364E-01 3798 0.334E-01 0.190E+00