Using device 2 (rank 2, local rank 2, local size 3) : Quadro GP100
Using device 1 (rank 1, local rank 1, local size 3) : Tesla P100-PCIE-12GB
Using device 0 (rank 0, local rank 0, 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 SiO C H
POSCAR found : 4 types and 22 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 50 x 50 x 60...
creating 32 CUFFT plans with grid size 50 x 50 x 60...
creating 32 CUFFT plans with grid size 50 x 50 x 60...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.515387758948E+03 0.51539E+03 -0.15866E+04 762 0.747E+02
DAV: 2 0.163617738331E+03 -0.35177E+03 -0.34247E+03 1119 0.184E+02
DAV: 3 0.813349669790E+02 -0.82283E+02 -0.74163E+02 756 0.920E+01
DAV: 4 0.740851538345E+02 -0.72498E+01 -0.70054E+01 975 0.233E+01
DAV: 5 0.738501339747E+02 -0.23502E+00 -0.23233E+00 1059 0.415E+00 0.406E+02
DAV: 6 0.251725058275E+02 -0.48678E+02 -0.42584E+02 1062 0.478E+01 0.144E+02
DAV: 7 -0.120823061640E+03 -0.14600E+03 -0.26898E+03 1185 0.913E+01 0.632E+01
DAV: 8 0.826461159450E+01 0.12909E+03 -0.52234E+02 729 0.630E+01 0.475E+01
DAV: 9 0.525252843562E+02 0.44261E+02 -0.61389E+01 885 0.245E+01 0.375E+01
DAV: 10 0.666225705684E+02 0.14097E+02 -0.25747E+01 939 0.902E+00 0.334E+01
DAV: 11 0.830159407313E+02 0.16393E+02 -0.14528E+01 969 0.837E+00 0.267E+01
DAV: 12 0.900633386919E+02 0.70474E+01 -0.72162E+00 954 0.457E+00 0.244E+01
DAV: 13 0.948910626148E+02 0.48277E+01 -0.10546E+00 966 0.272E+00 0.215E+01
DAV: 14 0.956846915424E+02 0.79363E+00 -0.74847E-01 1029 0.112E+00 0.217E+01
DAV: 15 0.944953573107E+02 -0.11893E+01 -0.61613E-02 882 0.639E-01 0.222E+01
DAV: 16 0.968675599704E+02 0.23722E+01 -0.20173E-01 930 0.103E+00 0.214E+01
DAV: 17 0.101352138453E+03 0.44846E+01 -0.10846E+00 996 0.218E+00 0.190E+01
DAV: 18 0.102807787338E+03 0.14556E+01 -0.22889E-01 876 0.149E+00 0.179E+01
DAV: 19 0.103065717262E+03 0.25793E+00 -0.64072E-02 882 0.550E-01 0.177E+01
DAV: 20 0.105984825703E+03 0.29191E+01 -0.17982E+00 939 0.242E+00 0.134E+01
DAV: 21 0.106352694729E+03 0.36787E+00 -0.41804E-01 1023 0.126E+00 0.127E+01
DAV: 22 0.106378454625E+03 0.25760E-01 -0.17270E-02 873 0.414E-01 0.127E+01
DAV: 23 0.106373487221E+03 -0.49674E-02 -0.24899E-03 1125 0.116E-01 0.127E+01
DAV: 24 0.106447850032E+03 0.74363E-01 -0.12264E-02 1188 0.165E-01 0.127E+01
DAV: 25 0.106460072608E+03 0.12223E-01 -0.91887E-04 846 0.788E-02 0.127E+01
DAV: 26 0.106379822872E+03 -0.80250E-01 -0.18957E+00 1119 0.253E+00 0.246E+01
DAV: 27 0.106737768716E+03 0.35795E+00 -0.35993E-01 981 0.178E+00 0.245E+01
DAV: 28 0.104472767963E+03 -0.22650E+01 -0.12000E+00 1101 0.206E+00 0.287E+01
DAV: 29 0.104177780025E+03 -0.29499E+00 -0.30992E-01 993 0.111E+00 0.299E+01
DAV: 30 0.104294331329E+03 0.11655E+00 -0.17706E-02 975 0.350E-01 0.298E+01
DAV: 31 0.103522317005E+03 -0.77201E+00 -0.44292E-01 1119 0.797E-01 0.320E+01
DAV: 32 0.103952209498E+03 0.42989E+00 -0.34706E-02 924 0.420E-01 0.314E+01
DAV: 33 0.104075071748E+03 0.12286E+00 -0.77225E-03 1143 0.154E-01 0.311E+01
DAV: 34 0.104056458409E+03 -0.18613E-01 -0.23561E-04 735 0.574E-02 0.311E+01
DAV: 35 0.103957603463E+03 -0.98855E-01 -0.27265E-03 1017 0.720E-02 0.314E+01
DAV: 36 0.104229722790E+03 0.27212E+00 -0.50008E-02 1104 0.322E-01 0.309E+01
DAV: 37 0.104596191239E+03 0.36647E+00 -0.52632E-01 777 0.121E+00 0.324E+01
DAV: 38 0.102762883194E+03 -0.18333E+01 -0.41152E+00 1200 0.216E+00 0.400E+01
DAV: 39 0.103039919058E+03 0.27704E+00 -0.78137E-02 750 0.107E+00 0.394E+01
DAV: 40 0.106283030799E+03 0.32431E+01 -0.11254E+00 1164 0.127E+00 0.299E+01
DAV: 41 0.106792636610E+03 0.50961E+00 -0.29287E-01 903 0.777E-01 0.262E+01
DAV: 42 0.106272445365E+03 -0.52019E+00 -0.38010E-01 1110 0.573E-01 0.312E+01
DAV: 43 0.106364091212E+03 0.91646E-01 -0.50613E-03 750 0.329E-01 0.310E+01
DAV: 44 0.107140362182E+03 0.77627E+00 -0.10772E+00 1200 0.595E-01 0.274E+01
DAV: 45 0.108538310898E+03 0.13979E+01 -0.50708E+00 1122 0.135E+00 0.112E+01
DAV: 46 0.108492288828E+03 -0.46022E-01 -0.72078E-01 930 0.147E+00 0.108E+01
DAV: 47 0.108057683495E+03 -0.43461E+00 -0.57340E-01 831 0.179E+00 0.150E+01