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 0.207337368757E+04 0.20734E+04 -0.10211E+05 3096 0.103E+03
DAV: 2 0.156809294544E+03 -0.19166E+04 -0.18327E+04 4005 0.242E+02
DAV: 3 -0.168759438872E+03 -0.32557E+03 -0.30746E+03 3834 0.102E+02
DAV: 4 -0.190045344402E+03 -0.21286E+02 -0.20691E+02 4329 0.258E+01
DAV: 5 -0.190782323375E+03 -0.73698E+00 -0.73143E+00 4203 0.452E+00 0.945E+01
DAV: 6 -0.176508139175E+03 0.14274E+02 -0.48193E+02 3906 0.505E+01 0.810E+01
DAV: 7 -0.165975725495E+03 0.10532E+02 -0.35104E+02 4338 0.341E+01 0.426E+01
DAV: 8 -0.165114202893E+03 0.86152E+00 -0.20545E+02 4410 0.478E+01 0.435E+01
DAV: 9 -0.119012757858E+03 0.46101E+02 -0.14673E+02 4626 0.294E+01 0.282E+01
DAV: 10 -0.114212137443E+03 0.48006E+01 -0.50266E+01 4392 0.150E+01 0.221E+01
DAV: 11 -0.112515204059E+03 0.16969E+01 -0.84080E+01 4194 0.111E+01 0.167E+01
DAV: 12 -0.108686775378E+03 0.38284E+01 -0.26991E+01 3933 0.786E+00 0.130E+01
DAV: 13 -0.107588259294E+03 0.10985E+01 -0.94089E+00 4086 0.451E+00 0.113E+01
DAV: 14 -0.107556687244E+03 0.31572E-01 -0.42073E+00 4473 0.277E+00 0.953E+00
DAV: 15 -0.107516954737E+03 0.39733E-01 -0.15261E+01 3807 0.260E+00 0.838E+00
DAV: 16 -0.107812921867E+03 -0.29597E+00 -0.38137E+00 4149 0.268E+00 0.137E+01
DAV: 17 -0.107140705125E+03 0.67222E+00 -0.71556E+00 4374 0.281E+00 0.643E+00
DAV: 18 -0.106961470194E+03 0.17923E+00 -0.94035E-01 4104 0.166E+00 0.344E+00
DAV: 19 -0.106995253867E+03 -0.33784E-01 -0.78263E-01 3834 0.121E+00 0.371E+00
DAV: 20 -0.107122974615E+03 -0.12772E+00 -0.42607E-01 3249 0.748E-01 0.364E+00
DAV: 21 -0.107107415962E+03 0.15559E-01 -0.34252E-02 3276 0.330E-01 0.373E+00
DAV: 22 -0.107082299123E+03 0.25117E-01 -0.93565E-03 3726 0.110E-01 0.354E+00
DAV: 23 -0.107100610822E+03 -0.18312E-01 -0.84266E-02 3330 0.237E-01 0.362E+00
DAV: 24 -0.107084382790E+03 0.16228E-01 -0.28889E-02 3141 0.226E-01 0.375E+00
DAV: 25 -0.107099652679E+03 -0.15270E-01 -0.39881E-03 3159 0.116E-01 0.389E+00
DAV: 26 -0.107091958363E+03 0.76943E-02 -0.17590E-01 3375 0.466E-01 0.426E+00
DAV: 27 -0.107125051500E+03 -0.33093E-01 -0.10784E-01 3330 0.319E-01 0.403E+00
DAV: 28 -0.107073067397E+03 0.51984E-01 -0.53967E-02 3213 0.265E-01 0.370E+00
DAV: 29 -0.107120685179E+03 -0.47618E-01 -0.30780E-01 3465 0.450E-01 0.474E+00
DAV: 30 -0.107125573769E+03 -0.48886E-02 -0.74707E-02 3204 0.422E-01 0.519E+00
DAV: 31 -0.107071907492E+03 0.53666E-01 -0.23717E-01 3285 0.355E-01 0.394E+00
DAV: 32 -0.107173404293E+03 -0.10150E+00 -0.27015E-01 3123 0.468E-01 0.504E+00
DAV: 33 -0.107163963756E+03 0.94405E-02 -0.27313E-02 3114 0.260E-01 0.547E+00
DAV: 34 -0.107107401822E+03 0.56562E-01 -0.51171E-02 3258 0.214E-01 0.487E+00
DAV: 35 -0.107119828705E+03 -0.12427E-01 -0.37639E-01 3285 0.564E-01 0.386E+00
DAV: 36 -0.107200726154E+03 -0.80897E-01 -0.12409E-01 3123 0.433E-01 0.332E+00