Using device 0 (rank 0, local rank 0, local size 1) : Tesla V100-PCIE-16GB
running on 1 total cores
distrk: each k-point on 1 cores, 1 groups
distr: one band on 1 cores, 1 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.
*******************************************************************************
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| |
| 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 SiC H
POSCAR found : 3 types and 37 ions
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 CUFFT plans with grid size 54 x 96 x 40...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.169878228009E+04 0.16988E+04 -0.40277E+04 1440 0.936E+02
DAV: 2 0.836459110871E+03 -0.86232E+03 -0.82312E+03 2008 0.213E+02
DAV: 3 0.610026010929E+03 -0.22643E+03 -0.21878E+03 2608 0.909E+01
DAV: 4 0.585934276474E+03 -0.24092E+02 -0.23378E+02 1960 0.342E+01
DAV: 5 0.584660129841E+03 -0.12741E+01 -0.12513E+01 2080 0.873E+00 0.147E+03
DAV: 6 0.665246932748E+03 0.80587E+02 -0.19152E+03 2659 0.901E+01 0.286E+02
DAV: 7 0.723729409316E+03 0.58482E+02 -0.72423E+02 2228 0.739E+01 0.273E+02
DAV: 8 0.742649437682E+03 0.18920E+02 -0.32748E+02 2064 0.436E+01 0.218E+02
DAV: 9 0.742103642700E+03 -0.54579E+00 -0.86468E+01 2040 0.192E+01 0.197E+02
DAV: 10 0.741180545035E+03 -0.92310E+00 -0.76378E+00 2264 0.615E+00 0.222E+02
DAV: 11 0.742008566641E+03 0.82802E+00 -0.80082E+00 2224 0.578E+00 0.255E+02
DAV: 12 0.726923293333E+03 -0.15085E+02 -0.14102E+02 1864 0.123E+01 0.334E+02
DAV: 13 0.716020143952E+03 -0.10903E+02 -0.71554E+01 1928 0.179E+01 0.356E+02
DAV: 14 0.728111886132E+03 0.12092E+02 -0.54978E+01 1793 0.128E+01 0.315E+02
DAV: 15 0.734530421712E+03 0.64185E+01 -0.57437E+00 1680 0.502E+00 0.287E+02
DAV: 16 0.740464961179E+03 0.59345E+01 -0.12869E+01 1768 0.481E+00 0.280E+02
DAV: 17 0.743955469139E+03 0.34905E+01 -0.15129E+01 2169 0.445E+00 0.217E+02
DAV: 18 0.745077017724E+03 0.11215E+01 -0.20073E+01 1684 0.437E+00 0.222E+02
-----------------------------------------------------------------------------
| |
| EEEEEEE RRRRRR RRRRRR OOOOOOO RRRRRR ### ### ### |
| E R R R R O O R R ### ### ### |
| E R R R R O O R R ### ### ### |
| EEEEE RRRRRR RRRRRR O O RRRRRR # # # |
| E R R R R O O R R |
| E R R R R O O R R ### ### ### |
| EEEEEEE R R R R OOOOOOO R R ### ### ### |
| |
| Error EDDDAV: Call to ZHEGV failed. Returncode = 7 1 8 |
| |
| ----> I REFUSE TO CONTINUE WITH THIS SICK JOB ... BYE!!! <---- |
| |
-----------------------------------------------------------------------------