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 0.174625471866E+04 0.17463E+04 -0.40061E+04 1424 0.936E+02
DAV: 2 0.882370986498E+03 -0.86388E+03 -0.82374E+03 1992 0.214E+02
DAV: 3 0.650258590847E+03 -0.23211E+03 -0.22575E+03 2640 0.921E+01
DAV: 4 0.624399349157E+03 -0.25859E+02 -0.25128E+02 1976 0.351E+01
DAV: 5 0.622963788866E+03 -0.14356E+01 -0.14070E+01 2056 0.929E+00 0.146E+03
DAV: 6 0.703674833597E+03 0.80711E+02 -0.19373E+03 2581 0.952E+01 0.293E+02
DAV: 7 0.767531322794E+03 0.63856E+02 -0.64506E+02 2236 0.709E+01 0.259E+02
DAV: 8 0.779552123620E+03 0.12021E+02 -0.31512E+02 2096 0.437E+01 0.208E+02
DAV: 9 0.780176514337E+03 0.62439E+00 -0.84076E+01 2016 0.188E+01 0.174E+02
DAV: 10 0.778138845384E+03 -0.20377E+01 -0.72843E+00 2080 0.596E+00 0.178E+02
DAV: 11 0.768038399095E+03 -0.10100E+02 -0.11201E+02 1970 0.147E+01 0.184E+02
DAV: 12 0.764076160804E+03 -0.39622E+01 -0.34973E+01 1898 0.146E+01 0.168E+02
DAV: 13 0.771744200092E+03 0.76680E+01 -0.17819E+01 1824 0.103E+01 0.163E+02
DAV: 14 0.778302157238E+03 0.65580E+01 -0.13809E+01 1841 0.680E+00 0.145E+02
DAV: 15 0.791376811283E+03 0.13075E+02 -0.78403E+01 1961 0.132E+01 0.673E+01
DAV: 16 0.788089518043E+03 -0.32873E+01 -0.24770E+01 1819 0.814E+00 0.526E+01
DAV: 17 0.785730637919E+03 -0.23589E+01 -0.22225E+01 1856 0.398E+00 0.523E+01
DAV: 18 0.786100705410E+03 0.37007E+00 -0.71212E-01 1824 0.140E+00 0.552E+01
-----------------------------------------------------------------------------
| |
| 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!!! <---- |
| |
-----------------------------------------------------------------------------