iterations/neb0_image07_iter83_VASP.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)

Status: running
Using device 0 (rank 0, local rank 0, local size 3) : Tesla P100-PCIE-16GB
Using device 1 (rank 1, local rank 1, local size 3) : Quadro GP100
Using device 2 (rank 2, local rank 2, local size 3) : Tesla P100-PCIE-16GB
 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 H 
 POSCAR found :  3 types and     117 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!
  
 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 120 x 48 x 48...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
creating 32 CUFFT plans with grid size 120 x 48 x 48...
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.423748284753E+04    0.42375E+04   -0.23863E+05  2892   0.117E+03 
DAV:   2    -0.428926780871E+03   -0.46664E+04   -0.45684E+04  3375   0.329E+02 
DAV:   3    -0.942774647585E+03   -0.51385E+03   -0.51163E+03  3120   0.117E+02 
DAV:   4    -0.955017755860E+03   -0.12243E+02   -0.12198E+02  3192   0.195E+01 
DAV:   5    -0.955412698124E+03   -0.39494E+00   -0.39441E+00  3183   0.318E+00    0.812E+01
DAV:   6    -0.847355393043E+03    0.10806E+03   -0.47052E+02  3066   0.347E+01    0.376E+01
DAV:   7    -0.846905524689E+03    0.44987E+00   -0.14467E+01  3534   0.614E+00    0.146E+01
DAV:   8    -0.846553197155E+03    0.35233E+00   -0.15406E+00  3435   0.310E+00    0.617E+00
DAV:   9    -0.846477304215E+03    0.75893E-01   -0.58920E-01  3174   0.179E+00    0.109E+00
DAV:  10    -0.846469443445E+03    0.78608E-02   -0.12337E-01  3129   0.760E-01    0.742E-01
DAV:  11    -0.846460050752E+03    0.93927E-02   -0.22045E-02  3174   0.438E-01    0.494E-01
DAV:  12    -0.846452914465E+03    0.71363E-02   -0.19613E-02  4281   0.505E-01    0.843E-01
DAV:  13    -0.846442975701E+03    0.99388E-02   -0.86191E-03  3372   0.273E-01    0.405E-01
DAV:  14    -0.846441335560E+03    0.16401E-02   -0.23373E-03  3111   0.131E-01    0.486E-01
DAV:  15    -0.846442714714E+03   -0.13792E-02   -0.18722E-04  3264   0.961E-02    0.421E-01
DAV:  16    -0.846444112356E+03   -0.13976E-02   -0.19093E-03  3120   0.241E-01    0.358E-01
DAV:  17    -0.846446923999E+03   -0.28116E-02   -0.40236E-03  3345   0.318E-01    0.266E-01
DAV:  18    -0.846451410076E+03   -0.44861E-02   -0.14479E-03  3300   0.304E-01    0.189E-01
DAV:  19    -0.846457142500E+03   -0.57324E-02   -0.15667E-03  3588   0.356E-01    0.183E-01
DAV:  20    -0.846460954106E+03   -0.38116E-02   -0.41953E-03  3219   0.289E-01    0.198E-01
DAV:  21    -0.846461581087E+03   -0.62698E-03   -0.21975E-03  3138   0.960E-02    0.218E-01
DAV:  22    -0.846461721539E+03   -0.14045E-03   -0.66821E-05  3084   0.166E-02    0.220E-01
DAV:  23    -0.846461869345E+03   -0.14781E-03   -0.12836E-04  3120   0.230E-02    0.243E-01
DAV:  24    -0.846462360737E+03   -0.49139E-03   -0.26757E-04  3066   0.503E-02    0.215E-01
DAV:  25    -0.846466960346E+03   -0.45996E-02   -0.43024E-03  3381   0.326E-01    0.298E-01
DAV:  26    -0.846471272901E+03   -0.43126E-02   -0.23361E-03  4110   0.334E-01    0.312E-01
DAV:  27    -0.846471706923E+03   -0.43402E-03   -0.25513E-03  3111   0.867E-02    0.300E-01
DAV:  28    -0.846471758462E+03   -0.51539E-04   -0.54910E-05  3039   0.135E-02    0.299E-01
DAV:  29    -0.846471710787E+03    0.47675E-04   -0.26864E-06  1941   0.375E-03    0.298E-01
DAV:  30    -0.846471620441E+03    0.90346E-04   -0.87847E-06  1986   0.113E-02    0.301E-01
DAV:  31    -0.846466724363E+03    0.48961E-02   -0.23412E-03  4596   0.367E-01    0.288E-01
DAV:  32    -0.846462594159E+03    0.41302E-02   -0.16886E-02  3354   0.557E-01    0.424E-01
DAV:  33    -0.846463438314E+03   -0.84415E-03   -0.73476E-03  3102   0.142E-01    0.469E-01
DAV:  34    -0.846462701923E+03    0.73639E-03   -0.55555E-04  4074   0.132E-01    0.491E-01
DAV:  35    -0.846464323042E+03   -0.16211E-02   -0.11814E-03  3156   0.947E-02    0.572E-01
DAV:  36    -0.846462339462E+03    0.19836E-02   -0.54985E-04  4155   0.150E-01    0.510E-01
DAV:  37    -0.846458017999E+03    0.43215E-02   -0.51342E-03  4317   0.441E-01    0.378E-01
DAV:  38    -0.846457497378E+03    0.52062E-03   -0.27391E-03  3120   0.128E-01    0.346E-01
DAV:  39    -0.846454733079E+03    0.27643E-02   -0.71808E-05  4551   0.215E-01    0.350E-01
DAV:  40    -0.846457919844E+03   -0.31868E-02    0.62077E-04  4353   0.340E-01    0.239E-01
DAV:  41    -0.846459262383E+03   -0.13425E-02   -0.26310E-03  3138   0.171E-01    0.160E-01
DAV:  42    -0.846460493998E+03   -0.12316E-02   -0.16122E-03  3570   0.156E-01    0.169E-01
DAV:  43    -0.846462610658E+03   -0.21167E-02   -0.83254E-04  4614   0.278E-01    0.148E-01
DAV:  44    -0.846466746587E+03   -0.41359E-02   -0.31643E-03  4533   0.470E-01    0.189E-01
DAV:  45    -0.846470087455E+03   -0.33409E-02   -0.41158E-03  3300   0.291E-01    0.237E-01
DAV:  46    -0.846471715500E+03   -0.16280E-02   -0.25927E-03  3120   0.143E-01    0.274E-01
DAV:  47    -0.846471145060E+03    0.57044E-03   -0.37673E-04  3102   0.549E-02    0.278E-01
DAV:  48    -0.846471914610E+03   -0.76955E-03   -0.17596E-05  2202   0.565E-02    0.283E-01
DAV:  49    -0.846472440616E+03   -0.52601E-03   -0.61402E-05  2859   0.366E-02    0.291E-01
DAV:  50    -0.846474318128E+03   -0.18775E-02   -0.26256E-04  4029   0.122E-01    0.314E-01
DAV:  51    -0.846477098202E+03   -0.27801E-02   -0.58636E-04  3831   0.168E-01    0.342E-01
DAV:  52    -0.846477134752E+03   -0.36550E-04   -0.54971E-04  3093   0.367E-02    0.360E-01
DAV:  53    -0.846477021093E+03    0.11366E-03   -0.49895E-06  2031   0.774E-03    0.359E-01
DAV:  54    -0.846476238747E+03    0.78235E-03   -0.18004E-05  2274   0.440E-02    0.352E-01
DAV:  55    -0.846471925112E+03    0.43136E-02   -0.10676E-03  4281   0.267E-01    0.299E-01
DAV:  56    -0.846468460076E+03    0.34650E-02   -0.23801E-03  3966   0.272E-01    0.237E-01
DAV:  57    -0.846468448912E+03    0.11163E-04   -0.18303E-03  3093   0.732E-02    0.214E-01
DAV:  58    -0.846468438680E+03    0.10233E-04   -0.28356E-05  2463   0.960E-03    0.214E-01
DAV:  59    -0.846468136697E+03    0.30198E-03   -0.10110E-05  2130   0.246E-02    0.211E-01
DAV:  60    -0.846466280102E+03    0.18566E-02   -0.58897E-04  3975   0.167E-01    0.218E-01
DAV:  61    -0.846464900809E+03    0.13793E-02   -0.65997E-04  3615   0.153E-01    0.225E-01
DAV:  62    -0.846464411603E+03    0.48921E-03   -0.64911E-04  3165   0.773E-02    0.204E-01
DAV:  63    -0.846464434945E+03   -0.23342E-04   -0.14595E-04  3102   0.219E-02    0.196E-01
DAV:  64    -0.846464350855E+03    0.84091E-04   -0.12119E-06  2022   0.106E-02    0.196E-01
DAV:  65    -0.846462086543E+03    0.22643E-02   -0.68389E-04  4236   0.287E-01    0.184E-01
DAV:  66    -0.846460516311E+03    0.15702E-02   -0.13515E-03  3939   0.231E-01    0.191E-01
DAV:  67    -0.846459806881E+03    0.70943E-03   -0.10495E-03  3210   0.127E-01    0.196E-01
DAV:  68    -0.846459338899E+03    0.46798E-03   -0.39047E-04  3561   0.796E-02    0.197E-01
DAV:  69    -0.846459201035E+03    0.13786E-03   -0.11226E-04  3120   0.266E-02    0.195E-01
DAV:  70    -0.846459129659E+03    0.71376E-04   -0.71273E-06  1941   0.101E-02    0.195E-01
DAV:  71    -0.846459169758E+03   -0.40099E-04   -0.19304E-04  2976   0.368E-02    0.196E-01
DAV:  72    -0.846459554281E+03   -0.38452E-03   -0.25820E-05  2679   0.507E-02    0.183E-01
DAV:  73    -0.846460116725E+03   -0.56244E-03   -0.10819E-04  3795   0.759E-02    0.182E-01
DAV:  74    -0.846460353515E+03   -0.23679E-03   -0.24683E-04  3111   0.351E-02    0.197E-01
DAV:  75    -0.846460465017E+03   -0.11150E-03   -0.25994E-05  2328   0.164E-02    0.201E-01
DAV:  76    -0.846460951566E+03   -0.48655E-03   -0.64169E-05  3444   0.898E-02    0.181E-01
DAV:  77    -0.846460540146E+03    0.41142E-03   -0.40901E-05  2742   0.604E-02    0.182E-01
DAV:  78    -0.846460701935E+03   -0.16179E-03   -0.13816E-04  3084   0.415E-02    0.155E-01
DAV:  79    -0.846460595326E+03    0.10661E-03   -0.10718E-04  3093   0.248E-02    0.149E-01
DAV:  80    -0.846460684968E+03   -0.89641E-04   -0.33291E-05  2517   0.180E-02    0.154E-01
DAV:  81    -0.846456413658E+03    0.42713E-02   -0.90682E-05  4245   0.468E-01    0.296E-01
DAV:  82    -0.846459364612E+03   -0.29510E-02    0.69215E-04  3912   0.319E-01    0.167E-01
DAV:  83    -0.846460790942E+03   -0.14263E-02   -0.41331E-04  4083   0.181E-01    0.150E-01
DAV:  84    -0.846461306980E+03   -0.51604E-03   -0.20685E-04  3228   0.679E-02    0.141E-01
DAV:  85    -0.846461201739E+03    0.10524E-03   -0.59221E-05  2832   0.268E-02    0.142E-01
DAV:  86    -0.846461258402E+03   -0.56663E-04   -0.33843E-05  2652   0.222E-02    0.142E-01
DAV:  87    -0.846461231567E+03    0.26836E-04   -0.25692E-05  2301   0.936E-03    0.140E-01
DAV:  88    -0.846461512774E+03   -0.28121E-03   -0.94932E-05  3381   0.457E-02    0.148E-01
DAV:  89    -0.846461864577E+03   -0.35180E-03   -0.27469E-05  2652   0.547E-02    0.150E-01
DAV:  90    -0.846462034744E+03   -0.17017E-03   -0.65806E-05  3021   0.321E-02    0.154E-01
DAV:  91    -0.846461608258E+03    0.42649E-03   -0.93140E-05  3309   0.628E-02    0.170E-01
DAV:  92    -0.846461995956E+03   -0.38770E-03   -0.17365E-05  2544   0.661E-02    0.167E-01
DAV:  93    -0.846462040013E+03   -0.44057E-04   -0.32203E-05  2841   0.118E-02    0.167E-01
DAV:  94    -0.846462113858E+03   -0.73845E-04   -0.86602E-07  1959   0.118E-02    0.166E-01
DAV:  95    -0.846462188542E+03   -0.74684E-04   -0.85758E-06  2004   0.122E-02    0.170E-01
DAV:  96    -0.846462127270E+03    0.61272E-04   -0.14874E-04  3273   0.465E-02    0.188E-01
DAV:  97    -0.846463176692E+03   -0.10494E-02   -0.34560E-04  4317   0.138E-01    0.212E-01
DAV:  98    -0.846463895698E+03   -0.71901E-03   -0.65461E-04  3444   0.911E-02    0.230E-01
DAV:  99    -0.846464334031E+03   -0.43833E-03   -0.35563E-04  3471   0.570E-02    0.249E-01
DAV: 100    -0.846464446466E+03   -0.11244E-03   -0.62507E-05  2922   0.184E-02    0.256E-01
DAV: 101    -0.846465329877E+03   -0.88341E-03   -0.63361E-05  3039   0.110E-01    0.255E-01
DAV: 102    -0.846464746792E+03    0.58308E-03   -0.23788E-05  2418   0.656E-02    0.252E-01
DAV: 103    -0.846464157304E+03    0.58949E-03   -0.61570E-05  3012   0.667E-02    0.242E-01
DAV: 104    -0.846464525115E+03   -0.36781E-03   -0.13332E-05  2283   0.392E-02    0.245E-01
DAV: 105    -0.846464792177E+03   -0.26706E-03   -0.29143E-05  2535   0.260E-02    0.255E-01
DAV: 106    -0.846462320929E+03    0.24712E-02   -0.88757E-04  4578   0.277E-01    0.201E-01
DAV: 107    -0.846462293187E+03    0.27742E-04   -0.86490E-04  3111   0.446E-02    0.178E-01
DAV: 108    -0.846462082966E+03    0.21022E-03   -0.81311E-06  2148   0.333E-02    0.181E-01
DAV: 109    -0.846461880022E+03    0.20294E-03   -0.29774E-05  2481   0.320E-02    0.184E-01
DAV: 110    -0.846462071334E+03   -0.19131E-03   -0.23454E-05  2283   0.284E-02    0.178E-01
DAV: 111    -0.846462853608E+03   -0.78227E-03   -0.41450E-04  3831   0.122E-01    0.147E-01
DAV: 112    -0.846463449504E+03   -0.59590E-03   -0.24242E-04  3525   0.756E-02    0.150E-01
DAV: 113    -0.846464006114E+03   -0.55661E-03   -0.14369E-04  3606   0.722E-02    0.158E-01
DAV: 114    -0.846463651413E+03    0.35470E-03   -0.12920E-04  3165   0.478E-02    0.160E-01
DAV: 115    -0.846463708035E+03   -0.56622E-04   -0.11870E-05  1905   0.911E-03    0.159E-01
DAV: 116    -0.846463499605E+03    0.20843E-03   -0.70394E-06  2043   0.258E-02    0.159E-01
DAV: 117    -0.846463210462E+03    0.28914E-03   -0.38303E-05  2769   0.371E-02    0.158E-01
DAV: 118    -0.846463100974E+03    0.10949E-03   -0.50563E-05  2814   0.185E-02    0.160E-01
DAV: 119    -0.846463260927E+03   -0.15995E-03   -0.12195E-05  2148   0.200E-02    0.161E-01
DAV: 120    -0.846463669877E+03   -0.40895E-03   -0.47242E-05  2796   0.526E-02    0.166E-01
DAV: 121    -0.846464022029E+03   -0.35215E-03   -0.62433E-05  3165   0.463E-02    0.170E-01
DAV: 122    -0.846463945443E+03    0.76586E-04   -0.47251E-05  2859   0.141E-02    0.174E-01
DAV: 123    -0.846463892060E+03    0.53384E-04   -0.40618E-06  2049   0.738E-03    0.173E-01
DAV: 124    -0.846464144991E+03   -0.25293E-03   -0.71539E-06  2121   0.294E-02    0.174E-01
DAV: 125    -0.846464344480E+03   -0.19949E-03   -0.31162E-05  2535   0.240E-02    0.178E-01
DAV: 126    -0.846447148758E+03    0.17196E-01   -0.18010E-02  4830   0.129E+00    0.538E-01
DAV: 127    -0.846448315270E+03   -0.11665E-02   -0.16098E-02  3120   0.170E-01    0.466E-01
DAV: 128    -0.846448887005E+03   -0.57174E-03   -0.28671E-04  3138   0.437E-02    0.441E-01
DAV: 129    -0.846454312371E+03   -0.54254E-02   -0.11092E-03  4866   0.286E-01    0.259E-01
DAV: 130    -0.846454830729E+03   -0.51836E-03   -0.91208E-04  3039   0.481E-02    0.284E-01
DAV: 131    -0.846457307982E+03   -0.24773E-02   -0.74121E-04  4326   0.194E-01    0.189E-01
DAV: 132    -0.846457504805E+03   -0.19682E-03   -0.76575E-04  3075   0.429E-02    0.223E-01
DAV: 133    -0.846457605076E+03   -0.10027E-03   -0.38027E-05  2724   0.135E-02    0.225E-01
DAV: 134    -0.846457798329E+03   -0.19325E-03   -0.42275E-06  2049   0.200E-02    0.220E-01
DAV: 135    -0.846461195846E+03   -0.33975E-02    0.42821E-04  4866   0.475E-01    0.169E-01
DAV: 136    -0.846461962650E+03   -0.76680E-03   -0.23662E-03  3102   0.792E-02    0.186E-01
DAV: 137    -0.846461899688E+03    0.62961E-04   -0.95282E-05  3129   0.223E-02    0.191E-01
DAV: 138    -0.846462364109E+03   -0.46442E-03   -0.44678E-05  2814   0.603E-02    0.195E-01
DAV: 139    -0.846462386372E+03   -0.22263E-04   -0.49807E-05  2841   0.945E-03    0.200E-01
DAV: 140    -0.846462398078E+03   -0.11706E-04   -0.10831E-06  1932   0.268E-03    0.200E-01
DAV: 141    -0.846463743043E+03   -0.13450E-02   -0.82215E-04  4353   0.191E-01    0.173E-01
DAV: 142    -0.846465522943E+03   -0.17799E-02   -0.17374E-03  4002   0.193E-01    0.205E-01
DAV: 143    -0.846465202418E+03    0.32053E-03   -0.74580E-04  3066   0.603E-02    0.223E-01
DAV: 144    -0.846465204218E+03   -0.18003E-05   -0.45632E-05  3021   0.120E-02 
   1 F= -.84646520E+03 E0= -.84647527E+03  d E =0.302107E-01