Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-12GB
Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
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 SiH O
POSCAR found : 3 types and 35 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 96 x 40...
creating 32 CUFFT plans with grid size 54 x 96 x 40...
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 0.705258309704E+03 0.70526E+03 -0.38439E+04 696 0.935E+02
DAV: 2 0.143817203242E+03 -0.56144E+03 -0.54260E+03 885 0.169E+02
DAV: 3 0.522647791305E+02 -0.91552E+02 -0.89464E+02 1122 0.600E+01
DAV: 4 0.457247864280E+02 -0.65400E+01 -0.64178E+01 1131 0.180E+01
DAV: 5 0.454711199368E+02 -0.25367E+00 -0.24962E+00 1005 0.332E+00 0.301E+02
DAV: 6 0.672997229856E+02 0.21829E+02 -0.33789E+02 1158 0.355E+01 0.136E+02
DAV: 7 -0.918481187352E+02 -0.15915E+03 -0.19113E+03 1173 0.671E+01 0.395E+01
DAV: 8 0.500597153970E+02 0.14191E+03 -0.57241E+02 1107 0.490E+01 0.465E+01
DAV: 9 0.710889884292E+02 0.21029E+02 -0.14002E+02 969 0.236E+01 0.246E+01
DAV: 10 0.791117420605E+02 0.80228E+01 -0.38725E+01 1005 0.119E+01 0.132E+01
DAV: 11 0.826805231477E+02 0.35688E+01 -0.19607E+01 1059 0.788E+00 0.941E+00
DAV: 12 0.850050654846E+02 0.23245E+01 -0.12348E+01 1068 0.708E+00 0.610E+00
DAV: 13 0.850373134204E+02 0.32248E-01 -0.38076E+00 960 0.378E+00 0.669E+00
DAV: 14 0.845914922223E+02 -0.44582E+00 -0.33395E+00 936 0.310E+00 0.870E+00
DAV: 15 0.855200319696E+02 0.92854E+00 -0.33944E+00 1140 0.371E+00 0.422E+00
DAV: 16 0.855755166860E+02 0.55485E-01 -0.73986E-01 879 0.155E+00 0.281E+00
DAV: 17 0.855433195187E+02 -0.32197E-01 -0.58138E-01 951 0.972E-01 0.170E+00