Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-SXM2-16GB
Using device 1 (rank 1, local rank 1, local size 2) : Tesla V100-SXM2-16GB
running on 2 total cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 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 GeSiO AlC H
POSCAR found : 6 types and 215 ions
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 CUFFT plans with grid size 128 x 96 x 64...
creating 32 CUFFT plans with grid size 128 x 96 x 64...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.201171200303E+05 0.20117E+05 -0.43655E+05 3264 0.209E+03
DAV: 2 0.310061606838E+04 -0.17017E+05 -0.16556E+05 3936 0.541E+02
DAV: 3 -0.666020795913E+03 -0.37666E+04 -0.36234E+04 3888 0.241E+02
DAV: 4 -0.118019796625E+04 -0.51418E+03 -0.50324E+03 4048 0.952E+01
DAV: 5 -0.120529943150E+04 -0.25101E+02 -0.24892E+02 4168 0.212E+01 0.111E+02
DAV: 6 -0.106447916238E+04 0.14082E+03 -0.43869E+02 4552 0.426E+01 0.354E+01
DAV: 7 -0.106805649058E+04 -0.35773E+01 -0.15816E+02 3864 0.298E+01 0.237E+01
DAV: 8 -0.105574351951E+04 0.12313E+02 -0.29483E+01 3824 0.155E+01 0.176E+01
DAV: 9 -0.105401647694E+04 0.17270E+01 -0.29330E+01 4056 0.117E+01 0.139E+01
DAV: 10 -0.105193613484E+04 0.20803E+01 -0.82808E+00 3640 0.700E+00 0.679E+00
DAV: 11 -0.105226925985E+04 -0.33313E+00 -0.10080E+01 3728 0.538E+00 0.533E+00
DAV: 12 -0.105170938266E+04 0.55988E+00 -0.29651E+00 3672 0.347E+00 0.502E+00
DAV: 13 -0.105141532951E+04 0.29405E+00 -0.75334E-01 3984 0.279E+00 0.314E+00
DAV: 14 -0.105143776346E+04 -0.22434E-01 -0.11615E+00 3720 0.163E+00 0.277E+00
DAV: 15 -0.105141228108E+04 0.25482E-01 -0.96469E-01 3808 0.113E+00 0.223E+00
DAV: 16 -0.105137162441E+04 0.40657E-01 -0.14201E-01 3616 0.118E+00 0.107E+00
DAV: 17 -0.105137117577E+04 0.44865E-03 -0.61881E-02 3856 0.756E-01 0.446E-01
DAV: 18 -0.105137049286E+04 0.68291E-03 -0.29097E-02 3720 0.572E-01 0.418E-01
DAV: 19 -0.105137051795E+04 -0.25092E-04 -0.13558E-02 3744 0.309E-01 0.232E-01
DAV: 20 -0.105137399473E+04 -0.34768E-02 -0.12455E-02 3688 0.271E-01 0.382E-01
DAV: 21 -0.105137541655E+04 -0.14218E-02 -0.11762E-02 4136 0.146E-01 0.314E-01
DAV: 22 -0.105137654343E+04 -0.11269E-02 -0.44807E-03 3424 0.967E-02 0.185E-01
DAV: 23 -0.105137965233E+04 -0.31089E-02 -0.52768E-03 3392 0.103E-01 0.266E-01
DAV: 24 -0.105138191833E+04 -0.22660E-02 -0.27312E-03 3000 0.602E-02 0.778E-02
DAV: 25 -0.105138368859E+04 -0.17703E-02 -0.43702E-04 2856 0.528E-02 0.821E-02
DAV: 26 -0.105138509021E+04 -0.14016E-02 -0.94237E-04 3000 0.418E-02 0.639E-02
DAV: 27 -0.105138632124E+04 -0.12310E-02 -0.22281E-04 2416 0.274E-02 0.393E-02
DAV: 28 -0.105138761955E+04 -0.12983E-02 -0.26485E-04 2768 0.243E-02 0.191E-02
DAV: 29 -0.105138804283E+04 -0.42329E-03 -0.48725E-05 2192 0.159E-02 0.138E-02
DAV: 30 -0.105138870907E+04 -0.66623E-03 -0.52914E-05 2256 0.145E-02 0.707E-03
DAV: 31 -0.105138900870E+04 -0.29964E-03 -0.31092E-05 2152 0.122E-02 0.142E-02
DAV: 32 -0.105138923307E+04 -0.22437E-03 -0.27537E-05 2184 0.979E-03 0.145E-02
DAV: 33 -0.105138935409E+04 -0.12102E-03 -0.17472E-05 2080 0.982E-03 0.628E-03
DAV: 34 -0.105138938272E+04 -0.28633E-04 -0.12134E-05 2016 0.694E-03
1 F= -.10513894E+04 E0= -.10513535E+04 d E =-.107764E+00