Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-SXM2-16GB
Using device 1 (rank 1, local rank 1, local size 2) : Tesla V100-SXM2-16GB
running on 2 total cores
distrk: each k-point on 2 cores, 1 groups
distr: one band on 1 cores, 2 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 GeSiO AlC H
POSCAR found : 6 types and 215 ions
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 CUFFT plans with grid size 128 x 96 x 64...
creating 32 CUFFT plans with grid size 128 x 96 x 64...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms rms(c)
DAV: 1 0.201010001261E+05 0.20101E+05 -0.43685E+05 3248 0.209E+03
DAV: 2 0.310475366918E+04 -0.16996E+05 -0.16533E+05 3976 0.543E+02
DAV: 3 -0.641364371732E+03 -0.37461E+04 -0.36005E+04 3768 0.241E+02
DAV: 4 -0.115163951198E+04 -0.51028E+03 -0.49971E+03 4160 0.945E+01
DAV: 5 -0.117682618362E+04 -0.25187E+02 -0.24954E+02 4160 0.213E+01 0.686E+01
DAV: 6 -0.106609810444E+04 0.11073E+03 -0.50981E+02 4416 0.434E+01 0.480E+01
DAV: 7 -0.106403481364E+04 0.20633E+01 -0.28194E+02 4112 0.297E+01 0.292E+01
DAV: 8 -0.104537671202E+04 0.18658E+02 -0.57582E+01 3776 0.153E+01 0.221E+01
DAV: 9 -0.103853559591E+04 0.68411E+01 -0.19703E+01 3896 0.121E+01 0.175E+01
DAV: 10 -0.103680733943E+04 0.17283E+01 -0.33419E+01 3840 0.108E+01 0.154E+01
DAV: 11 -0.103492951820E+04 0.18778E+01 -0.20334E+01 3648 0.690E+00 0.141E+01
DAV: 12 -0.103354329963E+04 0.13862E+01 -0.21814E+00 3680 0.327E+00 0.762E+00
DAV: 13 -0.103313973410E+04 0.40357E+00 -0.15629E+00 3608 0.228E+00 0.493E+00
DAV: 14 -0.103446354499E+04 -0.13238E+01 -0.99886E+00 4376 0.351E+00 0.139E+01
DAV: 15 -0.103288616976E+04 0.15774E+01 -0.80299E+00 4048 0.268E+00 0.326E+00
DAV: 16 -0.103290466581E+04 -0.18496E-01 -0.11073E+00 3552 0.190E+00 0.278E+00
DAV: 17 -0.103284637496E+04 0.58291E-01 -0.23081E-01 3920 0.141E+00 0.248E+00
DAV: 18 -0.103281264372E+04 0.33731E-01 -0.90969E-02 3824 0.703E-01 0.167E+00
DAV: 19 -0.103279798917E+04 0.14655E-01 -0.19106E-01 4136 0.830E-01 0.164E+00
DAV: 20 -0.103278816706E+04 0.98221E-02 -0.31708E-02 3752 0.304E-01 0.816E-01
DAV: 21 -0.103279282314E+04 -0.46561E-02 -0.10440E-02 3888 0.425E-01 0.111E+00
DAV: 22 -0.103279107463E+04 0.17485E-02 -0.26224E-02 3832 0.327E-01 0.419E-01
DAV: 23 -0.103279471474E+04 -0.36401E-02 -0.86435E-03 3560 0.282E-01 0.639E-01
DAV: 24 -0.103279312618E+04 0.15886E-02 -0.43688E-03 3712 0.154E-01 0.316E-01
DAV: 25 -0.103279524977E+04 -0.21236E-02 -0.78276E-03 3704 0.120E-01 0.256E-01
DAV: 26 -0.103279761952E+04 -0.23697E-02 -0.16205E-03 3136 0.911E-02 0.145E-01
DAV: 27 -0.103279927323E+04 -0.16537E-02 -0.93178E-04 3184 0.527E-02 0.257E-01
DAV: 28 -0.103280108796E+04 -0.18147E-02 -0.27137E-03 3344 0.720E-02 0.838E-02
DAV: 29 -0.103280177295E+04 -0.68499E-03 -0.63552E-04 2920 0.367E-02 0.803E-02
DAV: 30 -0.103280250708E+04 -0.73413E-03 -0.20910E-04 2424 0.286E-02 0.136E-01
DAV: 31 -0.103280344612E+04 -0.93903E-03 -0.31977E-04 2528 0.272E-02 0.397E-02
DAV: 32 -0.103280386161E+04 -0.41549E-03 -0.67116E-05 2280 0.190E-02 0.193E-02
DAV: 33 -0.103280423891E+04 -0.37730E-03 -0.35223E-05 2152 0.129E-02 0.224E-02
DAV: 34 -0.103280449636E+04 -0.25745E-03 -0.37967E-05 2136 0.138E-02 0.908E-03
DAV: 35 -0.103280465162E+04 -0.15526E-03 -0.18543E-05 2064 0.940E-03 0.105E-02
DAV: 36 -0.103280476643E+04 -0.11482E-03 -0.92488E-06 2096 0.786E-03 0.386E-03
DAV: 37 -0.103280483061E+04 -0.64173E-04 -0.88920E-06 2032 0.643E-03
1 F= -.10328048E+04 E0= -.10327516E+04 d E =-.159626E+00