Using device 0 (rank 0, local rank 0, local size 1) : Tesla V100-SXM2-16GB
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.
*******************************************************************************
-----------------------------------------------------------------------------
| |
| 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 SnC H O
POSCAR found : 4 types and 27 ions
-----------------------------------------------------------------------------
| |
| 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 !!! |
| |
| You use a magnetic or noncollinear calculation, but did not specify |
| the initial magnetic moment with the MAGMOM tag. Note that a |
| default of 1 will be used for all atoms. This ferromagnetic setup |
| may break the symmetry of the crystal, in particular it may rule |
| out finding an antiferromagnetic solution. Thence, we recommend |
| setting the initial magnetic moment manually or verifying carefully |
| that this magnetic setup is desired. |
| |
-----------------------------------------------------------------------------
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 80 x 80 x 80...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.684383244987E+03 0.68438E+03 -0.21133E+04 332 0.585E+02
DAV: 2 0.130680518995E+03 -0.55370E+03 -0.50626E+03 437 0.153E+02
DAV: 3 -0.968680673301E+02 -0.22755E+03 -0.22520E+03 384 0.999E+01
DAV: 4 -0.115306348674E+03 -0.18438E+02 -0.18350E+02 352 0.401E+01
DAV: 5 -0.115749596770E+03 -0.44325E+00 -0.44258E+00 400 0.644E+00 0.402E+01
DAV: 6 -0.317632303706E+02 0.83986E+02 -0.19306E+02 367 0.558E+01 0.174E+01
DAV: 7 -0.728265233030E+02 -0.41063E+02 -0.36330E+01 344 0.191E+01 0.111E+01
DAV: 8 -0.845497284976E+02 -0.11723E+02 -0.59770E+00 320 0.950E+00 0.707E+00
DAV: 9 -0.107652945165E+03 -0.23103E+02 -0.11448E+01 325 0.928E+00 0.292E+00
DAV: 10 -0.116517375818E+03 -0.88644E+01 -0.51161E+00 320 0.553E+00 0.206E+00
DAV: 11 -0.120053776190E+03 -0.35364E+01 -0.16367E+00 304 0.329E+00 0.124E+00
DAV: 12 -0.122916282552E+03 -0.28625E+01 -0.11092E+00 290 0.243E+00 0.621E-01
DAV: 13 -0.124041742471E+03 -0.11255E+01 -0.22175E-01 298 0.124E+00 0.312E-01
DAV: 14 -0.124929275454E+03 -0.88753E+00 -0.67500E-02 306 0.609E-01 0.153E-01
DAV: 15 -0.125042755682E+03 -0.11348E+00 -0.13255E-02 317 0.306E-01 0.913E-02
DAV: 16 -0.125053911839E+03 -0.11156E-01 -0.30462E-03 328 0.162E-01 0.518E-02
DAV: 17 -0.125057034774E+03 -0.31229E-02 -0.82224E-04 312 0.964E-02 0.353E-02
DAV: 18 -0.125063696583E+03 -0.66618E-02 -0.84733E-04 285 0.753E-02 0.273E-02
DAV: 19 -0.125072173187E+03 -0.84766E-02 -0.51248E-04 279 0.629E-02 0.187E-02
DAV: 20 -0.125076754002E+03 -0.45808E-02 -0.23049E-04 312 0.423E-02 0.122E-02
DAV: 21 -0.125078303909E+03 -0.15499E-02 -0.57380E-05 288 0.294E-02 0.677E-03
DAV: 22 -0.125079082552E+03 -0.77864E-03 -0.40406E-05 274 0.195E-02 0.488E-03
DAV: 23 -0.125079242943E+03 -0.16039E-03 -0.78642E-06 256 0.136E-02 0.243E-03
DAV: 24 -0.125079383958E+03 -0.14101E-03 -0.44444E-06 248 0.860E-03 0.203E-03
DAV: 25 -0.125079468909E+03 -0.84951E-04 -0.25442E-06 232 0.603E-03 0.126E-03
DAV: 26 -0.125079509821E+03 -0.40912E-04 -0.12200E-06 240 0.409E-03 0.780E-04
DAV: 27 -0.125079536238E+03 -0.26417E-04 -0.93709E-07 232 0.342E-03 0.574E-04
DAV: 28 -0.125079545539E+03 -0.93010E-05 -0.43317E-07 208 0.228E-03
1 F= -.12507955E+03 E0= -.12508351E+03 d E =0.119045E-01 mag= 0.0367