./iterations/neb1_max2_image01_iter29_VASP.out output for Job 41

./iterations/neb1_max2_image01_iter29_VASP.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)

Status: finished
Using device 0 (rank 0, local rank 0, local size 1) : Tesla V100-PCIE-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 N SiO H 
 POSCAR found :  4 types and      29 ions
 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 CUFFT plans with grid size 60 x 60 x 80...
 FFT: planning ...
 WAVECAR not read
 entering main loop
       N       E                     dE             d eps       ncg     rms          rms(c)
DAV:   1     0.409166046070E+03    0.40917E+03   -0.15905E+04   424   0.706E+02 
DAV:   2    -0.102970434644E+02   -0.41946E+03   -0.40077E+03   601   0.166E+02 
DAV:   3    -0.140832505996E+03   -0.13054E+03   -0.12991E+03   552   0.982E+01 
DAV:   4    -0.148777084073E+03   -0.79446E+01   -0.79297E+01   464   0.300E+01 
DAV:   5    -0.148970642378E+03   -0.19356E+00   -0.19345E+00   528   0.444E+00    0.248E+01
DAV:   6    -0.136543318434E+03    0.12427E+02   -0.36394E+01   450   0.257E+01    0.131E+01
DAV:   7    -0.135048668606E+03    0.14946E+01   -0.49179E+00   496   0.917E+00    0.598E+00
DAV:   8    -0.134420457451E+03    0.62821E+00   -0.91108E-01   488   0.436E+00    0.208E+00
DAV:   9    -0.134249943033E+03    0.17051E+00   -0.27467E-01   480   0.215E+00    0.576E-01
DAV:  10    -0.134224952097E+03    0.24991E-01   -0.70607E-02   488   0.112E+00    0.409E-01
DAV:  11    -0.134215978336E+03    0.89738E-02   -0.12066E-02   472   0.560E-01    0.174E-01
DAV:  12    -0.134212242596E+03    0.37357E-02   -0.72144E-03   480   0.374E-01    0.139E-01
DAV:  13    -0.134215243203E+03   -0.30006E-02   -0.49847E-03   497   0.390E-01    0.982E-02
DAV:  14    -0.134222383635E+03   -0.71404E-02   -0.33539E-03   456   0.255E-01    0.836E-02
DAV:  15    -0.134227348385E+03   -0.49647E-02   -0.16609E-03   496   0.190E-01    0.437E-02
DAV:  16    -0.134231122634E+03   -0.37742E-02   -0.67929E-04   456   0.108E-01    0.509E-02
DAV:  17    -0.134233201801E+03   -0.20792E-02   -0.13419E-04   472   0.494E-02    0.366E-02
DAV:  18    -0.134235939821E+03   -0.27380E-02   -0.63572E-04   528   0.100E-01    0.233E-02
DAV:  19    -0.134236326906E+03   -0.38708E-03   -0.70083E-05   472   0.440E-02    0.152E-02
DAV:  20    -0.134236865054E+03   -0.53815E-03   -0.89111E-05   520   0.372E-02    0.112E-02
DAV:  21    -0.134237384277E+03   -0.51922E-03   -0.41621E-05   409   0.257E-02    0.593E-03
DAV:  22    -0.134237535962E+03   -0.15169E-03   -0.14407E-05   336   0.154E-02    0.302E-03
DAV:  23    -0.134237584668E+03   -0.48706E-04   -0.43522E-06   336   0.789E-03    0.220E-03
DAV:  24    -0.134237641985E+03   -0.57317E-04   -0.38956E-06   313   0.679E-03    0.155E-03
DAV:  25    -0.134237653633E+03   -0.11649E-04   -0.12380E-06   336   0.360E-03    0.948E-04
DAV:  26    -0.134237661588E+03   -0.79541E-05   -0.83990E-07   320   0.320E-03 
   1 F= -.13423766E+03 E0= -.13424340E+03  d E =0.172296E-01