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 0.215364500674E+04 0.21536E+04 -0.10234E+05 3132 0.103E+03
DAV: 2 0.207387521369E+03 -0.19463E+04 -0.18650E+04 4149 0.243E+02
DAV: 3 -0.135662691965E+03 -0.34305E+03 -0.33025E+03 4014 0.104E+02
DAV: 4 -0.155540214672E+03 -0.19878E+02 -0.19478E+02 4194 0.251E+01
DAV: 5 -0.156284251891E+03 -0.74404E+00 -0.73833E+00 4347 0.444E+00 0.180E+02
DAV: 6 -0.130074832938E+03 0.26209E+02 -0.29097E+02 4113 0.439E+01 0.899E+01
DAV: 7 -0.266132953654E+03 -0.13606E+03 -0.44256E+02 4230 0.515E+01 0.704E+01
DAV: 8 -0.254409414749E+03 0.11724E+02 -0.68669E+02 4671 0.559E+01 0.614E+01
DAV: 9 -0.130345772547E+03 0.12406E+03 -0.27666E+02 4329 0.394E+01 0.413E+01
DAV: 10 -0.121883308648E+03 0.84625E+01 -0.11523E+02 3807 0.166E+01 0.272E+01
DAV: 11 -0.101312128433E+03 0.20571E+02 -0.61778E+01 4275 0.169E+01 0.207E+01
DAV: 12 -0.927100533854E+02 0.86021E+01 -0.26274E+01 3519 0.101E+01 0.121E+01
DAV: 13 -0.956607505801E+02 -0.29507E+01 -0.37159E+01 3906 0.580E+00 0.301E+01
DAV: 14 -0.916673380375E+02 0.39934E+01 -0.21432E+00 3573 0.271E+00 0.122E+01
DAV: 15 -0.918400332009E+02 -0.17270E+00 -0.78434E+00 3915 0.374E+00 0.112E+01
DAV: 16 -0.895391697353E+02 0.23009E+01 -0.15865E+00 3492 0.276E+00 0.854E+00
DAV: 17 -0.897042818857E+02 -0.16511E+00 -0.11398E+00 4050 0.263E+00 0.217E+01
DAV: 18 -0.887879034339E+02 0.91638E+00 -0.41025E+00 3690 0.164E+00 0.773E+00
DAV: 19 -0.883295643550E+02 0.45834E+00 -0.15751E+00 3330 0.935E-01 0.461E+00
DAV: 20 -0.882610827220E+02 0.68482E-01 -0.52157E-01 3825 0.681E-01 0.353E+00
DAV: 21 -0.882373755934E+02 0.23707E-01 -0.30140E-01 3834 0.547E-01 0.598E+00
DAV: 22 -0.883592682344E+02 -0.12189E+00 -0.49515E-01 3402 0.387E-01 0.104E+01
DAV: 23 -0.884928998027E+02 -0.13363E+00 -0.69779E-01 3618 0.421E-01 0.132E+01
DAV: 24 -0.882778487123E+02 0.21505E+00 -0.13517E+00 3618 0.451E-01 0.746E+00
DAV: 25 -0.880665176528E+02 0.21133E+00 -0.13733E-01 3330 0.361E-01 0.646E+00
DAV: 26 -0.880875147588E+02 -0.20997E-01 -0.44129E-01 3825 0.374E-01 0.295E+00
DAV: 27 -0.882062463702E+02 -0.11873E+00 -0.32557E-02 3204 0.262E-01 0.342E+00
DAV: 28 -0.881396239685E+02 0.66622E-01 -0.18553E-01 3357 0.236E-01 0.227E+00
DAV: 29 -0.882050808518E+02 -0.65457E-01 -0.10616E-02 3168 0.207E-01 0.236E+00
DAV: 30 -0.882031602353E+02 0.19206E-02 -0.46608E-03 3186 0.992E-02 0.262E+00
DAV: 31 -0.881951514304E+02 0.80088E-02 -0.65469E-03 3096 0.762E-02 0.226E+00
DAV: 32 -0.881965825294E+02 -0.14311E-02 -0.63076E-03 3177 0.110E-01 0.206E+00
DAV: 33 -0.881909666106E+02 0.56159E-02 -0.20231E-02 3402 0.122E-01 0.229E+00
DAV: 34 -0.881969284780E+02 -0.59619E-02 -0.38897E-03 3231 0.955E-02 0.225E+00
DAV: 35 -0.881915551934E+02 0.53733E-02 -0.49053E-02 3285 0.143E-01 0.204E+00
DAV: 36 -0.882019009169E+02 -0.10346E-01 -0.16954E-02 3339 0.125E-01 0.131E+00
DAV: 37 -0.881821859010E+02 0.19715E-01 -0.11829E-01 3132 0.229E-01 0.153E+00