Using device 0 (rank 0, local rank 0, local size 2) : Tesla V100-PCIE-16GB
Using device 1 (rank 1, local rank 1, local size 2) : Tesla V100-PCIE-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 N H C SiO
POSCAR found : 5 types and 36 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!
POSCAR, INCAR and KPOINTS ok, starting setup
creating 32 CUDA streams...
creating 32 CUDA streams...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
creating 32 CUFFT plans with grid size 80 x 80 x 98...
FFT: planning ...
WAVECAR not read
entering main loop
N E dE d eps ncg rms ort
DAV: 1 0.726810961696E+03 0.72681E+03 -0.15597E+04 62 0.716E+02
DAV: 2 -0.139470759076E+02 -0.74076E+03 -0.66393E+03 62 0.194E+02
DAV: 3 -0.564041076077E+03 -0.55009E+03 -0.52612E+03 62 0.198E+02
DAV: 4 -0.777236880323E+03 -0.21320E+03 -0.21107E+03 62 0.145E+02
DAV: 5 -0.240141385515E+03 0.53710E+03 -0.50639E+02 62 0.729E+01
gam= 0.000 g(H,U,f)= 0.208E+03 0.333E+01-0.316E-49 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00
SDA: 6 -0.179031784035E+03 0.61110E+02 -0.84489E+02 62 0.211E+03 0.000E+00
gam= 0.382 g(H,U,f)= 0.950E+02 0.445E+00-0.238E-06 ort(H,U,f) =-0.948E+02-0.409E-01 0.542E-06
DMP: 7 -0.206481907705E+03 -0.27450E+02 -0.23670E+02 62 0.954E+02-0.949E+02
gam= 0.382 g(H,U,f)= 0.241E+02 0.117E+00-0.314E-04 ort(H,U,f) =-0.315E+01 0.241E+00-0.129E-04
DMP: 8 -0.217044358763E+03 -0.10562E+02 -0.92234E+01 62 0.242E+02-0.291E+01
gam= 0.382 g(H,U,f)= 0.848E+01 0.138E+00-0.189E-01 ort(H,U,f) =-0.543E+01 0.101E+00 0.164E+00
DMP: 9 -0.220346422110E+03 -0.33021E+01 -0.26485E+01 62 0.859E+01-0.517E+01
gam= 0.382 g(H,U,f)= 0.454E+01 0.195E+01 0.357E+01 ort(H,U,f) =-0.234E+00-0.451E+00-0.147E+01
DMP: 10 -0.221423623738E+03 -0.10772E+01 -0.36956E+01 62 0.101E+02-0.216E+01
gam= 0.382 g(H,U,f)= 0.203E+01 0.721E-01-0.143E+00 ort(H,U,f) =-0.154E+01 0.819E-01 0.173E+00
DMP: 11 -0.222150107342E+03 -0.72648E+00 -0.58844E+00 62 0.196E+01-0.128E+01
gam= 0.382 g(H,U,f)= 0.724E+00 0.905E-01-0.418E+00 ort(H,U,f) =-0.470E-03 0.925E-01-0.247E+00
DMP: 12 -0.222402199095E+03 -0.25209E+00 -0.13486E+00 62 0.396E+00-0.155E+00
gam= 0.382 g(H,U,f)= 0.500E+01 0.879E+02 0.310E-01 ort(H,U,f) =-0.143E+01-0.210E+02-0.684E-03
DMP: 13 -0.220508244828E+03 0.18940E+01 -0.33760E+02 62 0.930E+02-0.224E+02
gam= 0.382 g(H,U,f)= 0.270E+01 0.522E-01-0.106E-10 ort(H,U,f) =-0.322E+01-0.775E-01 0.209E-10
DMP: 14 -0.222064759810E+03 -0.15565E+01 -0.59552E+00 62 0.275E+01-0.329E+01
gam= 0.382 g(H,U,f)= 0.566E+00 0.205E-01-0.634E-08 ort(H,U,f) = 0.603E+00 0.129E-01-0.243E-08
DMP: 15 -0.222484636774E+03 -0.41988E+00 -0.32856E+00 62 0.586E+00 0.616E+00
gam= 0.382 g(H,U,f)= 0.148E+00 0.444E-02-0.149E-02 ort(H,U,f) =-0.248E+00 0.449E-02-0.793E-02
DMP: 16 -0.222598699361E+03 -0.11406E+00 -0.22052E-01 62 0.151E+00-0.251E+00
gam= 0.382 g(H,U,f)= 0.520E-01 0.708E-02-0.112E+00 ort(H,U,f) = 0.761E-03 0.129E-01-0.229E+00
DMP: 17 -0.222581722152E+03 0.16977E-01 0.54187E-01 62 -0.533E-01-0.215E+00
gam= 0.382 g(H,U,f)= 0.834E+00 0.146E+01 0.948E+01 ort(H,U,f) = 0.867E-01-0.628E+00-0.437E+01
DMP: 18 -0.222321126342E+03 0.26060E+00 -0.39622E+01 62 0.118E+02-0.491E+01
gam= 0.382 g(H,U,f)= 0.670E+00 0.178E-01-0.849E-01 ort(H,U,f) =-0.770E+00-0.269E-01 0.119E+00
DMP: 19 -0.222504299161E+03 -0.18317E+00 -0.13771E+00 62 0.603E+00-0.677E+00
gam= 0.382 g(H,U,f)= 0.182E+00 0.144E-01-0.367E+00 ort(H,U,f) = 0.170E+00 0.715E-02-0.203E+00
DMP: 20 -0.222570939910E+03 -0.66641E-01 0.72434E-01 62 -0.171E+00-0.260E-01
gam= 0.382 g(H,U,f)= 0.134E+01 0.311E+01 0.177E+02 ort(H,U,f) =-0.661E+00-0.136E+01-0.798E+01
DMP: 21 -0.222092024396E+03 0.47892E+00 -0.73515E+01 62 0.222E+02-0.100E+02
gam= 0.382 g(H,U,f)= 0.460E+00 0.145E-01-0.731E-02 ort(H,U,f) =-0.648E+00-0.298E-01 0.134E-01
DMP: 22 -0.222535170020E+03 -0.44315E+00 -0.85431E-01 62 0.467E+00-0.665E+00
gam= 0.382 g(H,U,f)= 0.139E+00 0.673E-02-0.283E-01 ort(H,U,f) = 0.116E+00 0.194E-02-0.116E-01
DMP: 23 -0.222600084246E+03 -0.64914E-01 -0.63274E-01 62 0.117E+00 0.107E+00
gam= 0.382 g(H,U,f)= 0.326E-01 0.140E-01-0.165E+00 ort(H,U,f) = 0.703E-01 0.139E-01-0.182E+00
DMP: 24 -0.222567419189E+03 0.32665E-01 0.62263E-01 62 -0.118E+00-0.983E-01
gam= 0.382 g(H,U,f)= 0.673E+01 0.282E+02 0.119E+03 ort(H,U,f) =-0.862E+00-0.538E+01-0.226E+02
DMP: 25 -0.219170313536E+03 0.33971E+01 -0.57120E+02 62 0.154E+03-0.288E+02
gam= 0.382 g(H,U,f)= 0.353E+01 0.986E-01-0.900E-14 ort(H,U,f) =-0.450E+01-0.197E+00 0.196E-13
DMP: 26 -0.221843293269E+03 -0.26730E+01 -0.73462E+00 62 0.363E+01-0.469E+01
gam= 0.382 g(H,U,f)= 0.932E+00 0.352E-01-0.667E-14 ort(H,U,f) = 0.820E+00 0.341E-02-0.152E-14
DMP: 27 -0.222379833381E+03 -0.53654E+00 -0.51249E+00 62 0.967E+00 0.823E+00
gam= 0.382 g(H,U,f)= 0.188E+00 0.707E-02-0.554E-05 ort(H,U,f) =-0.232E+00 0.114E-02-0.219E-04
DMP: 28 -0.222590177593E+03 -0.21034E+00 -0.42961E-01 62 0.195E+00-0.231E+00
gam= 0.382 g(H,U,f)= 0.149E+00 0.293E-02-0.264E-02 ort(H,U,f) =-0.826E-01 0.208E-02-0.297E-01
DMP: 29 -0.222590876911E+03 -0.69932E-03 -0.43028E-01 62 0.150E+00-0.110E+00
gam= 0.382 g(H,U,f)= 0.325E-01 0.126E-01-0.104E+00 ort(H,U,f) =-0.264E-01 0.711E-02-0.908E-01
DMP: 30 -0.222569676872E+03 0.21200E-01 0.40219E-01 62 -0.585E-01-0.110E+00
gam= 0.382 g(H,U,f)= 0.289E+01 0.518E+02 0.179E+02 ort(H,U,f) = 0.244E-01-0.118E+02-0.411E+01
DMP: 31 -0.221041648124E+03 0.15280E+01 -0.26616E+02 62 0.726E+02-0.158E+02
gam= 0.382 g(H,U,f)= 0.175E+01 0.468E-01-0.298E-08 ort(H,U,f) =-0.223E+01-0.932E-01 0.586E-08
DMP: 32 -0.222220417084E+03 -0.11788E+01 -0.36572E+00 62 0.180E+01-0.232E+01
gam= 0.382 g(H,U,f)= 0.504E+00 0.174E-01-0.455E-06 ort(H,U,f) = 0.443E+00 0.367E-02-0.160E-06
DMP: 33 -0.222494854511E+03 -0.27444E+00 -0.27697E+00 62 0.522E+00 0.447E+00
gam= 0.382 g(H,U,f)= 0.593E-01 0.278E-02-0.137E-01 ort(H,U,f) =-0.585E-01 0.156E-02-0.510E-01
DMP: 34 -0.222617498952E+03 -0.12264E+00 -0.28313E-02 62 0.483E-01-0.108E+00
gam= 0.382 g(H,U,f)= 0.292E-01 0.377E-02 0.202E+00 ort(H,U,f) =-0.146E-01 0.624E-02 0.409E+00
DMP: 35 -0.222580275742E+03 0.37223E-01 -0.15506E+00 62 0.235E+00 0.401E+00
gam= 0.382 g(H,U,f)= 0.540E+01 0.238E+02 0.943E+02 ort(H,U,f) =-0.241E-01-0.389E+01-0.154E+02
DMP: 36 -0.219936817980E+03 0.26435E+01 -0.46447E+02 62 0.123E+03-0.193E+02
gam= 0.382 g(H,U,f)= 0.355E+01 0.735E-01-0.610E-16 ort(H,U,f) =-0.435E+01-0.159E+00 0.137E-15
DMP: 37 -0.221854249671E+03 -0.19174E+01 -0.76195E+00 62 0.363E+01-0.451E+01
gam= 0.382 g(H,U,f)= 0.841E+00 0.280E-01-0.191E-11 ort(H,U,f) = 0.873E+00 0.438E-02-0.703E-12
DMP: 38 -0.222414442988E+03 -0.56019E+00 -0.48170E+00 62 0.869E+00 0.878E+00
gam= 0.382 g(H,U,f)= 0.105E+00 0.355E-02-0.282E-03 ort(H,U,f) =-0.244E+00 0.178E-03-0.139E-02
DMP: 39 -0.222605032862E+03 -0.19059E+00 -0.56405E-02 62 0.108E+00-0.245E+00
gam= 0.382 g(H,U,f)= 0.114E+00 0.252E-02-0.500E-01 ort(H,U,f) =-0.500E-01 0.311E-02-0.185E+00
DMP: 40 -0.222578089451E+03 0.26943E-01 0.88036E-02 62 0.667E-01-0.232E+00
gam= 0.382 g(H,U,f)= 0.207E+00 0.174E-01 0.853E+00 ort(H,U,f) = 0.765E-01-0.104E-01-0.111E+01
DMP: 41 -0.222579988375E+03 -0.18989E-02 -0.27220E+00 62 0.108E+01-0.104E+01
gam= 0.382 g(H,U,f)= 0.266E+00 0.167E-01 0.717E+00 ort(H,U,f) =-0.268E+00-0.921E-02-0.215E+00
DMP: 42 -0.222535204637E+03 0.44784E-01 -0.32504E+00 62 0.100E+01-0.492E+00
gam= 0.382 g(H,U,f)= 0.378E+01 0.425E+02 0.529E+02 ort(H,U,f) =-0.586E+00-0.752E+01-0.936E+01
DMP: 43 -0.220463561629E+03 0.20716E+01 -0.37009E+02 62 0.992E+02-0.175E+02
gam= 0.382 g(H,U,f)= 0.279E+01 0.569E-01-0.641E-12 ort(H,U,f) =-0.305E+01-0.127E+00 0.127E-11
DMP: 44 -0.222012181023E+03 -0.15486E+01 -0.65468E+00 62 0.285E+01-0.317E+01
gam= 0.382 g(H,U,f)= 0.559E+00 0.215E-01-0.659E-09 ort(H,U,f) = 0.686E+00 0.458E-02-0.245E-09
DMP: 45 -0.222479406825E+03 -0.46723E+00 -0.33754E+00 62 0.580E+00 0.690E+00
gam= 0.382 g(H,U,f)= 0.844E-01 0.234E-02-0.110E-02 ort(H,U,f) =-0.182E+00 0.115E-02-0.501E-02
DMP: 46 -0.222610494032E+03 -0.13109E+00 -0.58340E-02 62 0.857E-01-0.186E+00
gam= 0.382 g(H,U,f)= 0.584E-01 0.177E-02-0.114E+00 ort(H,U,f) =-0.126E-01 0.269E-02-0.256E+00
DMP: 47 -0.222579473951E+03 0.31020E-01 0.62296E-01 62 -0.541E-01-0.266E+00
gam= 0.382 g(H,U,f)= 0.943E+00 0.140E+00 0.130E+02 ort(H,U,f) = 0.903E-01-0.431E-01-0.574E+01
DMP: 48 -0.222268998027E+03 0.31048E+00 -0.47628E+01 62 0.141E+02-0.569E+01
gam= 0.382 g(H,U,f)= 0.618E+00 0.125E-01-0.464E-01 ort(H,U,f) =-0.792E+00-0.246E-01 0.712E-01
DMP: 49 -0.222508776773E+03 -0.23978E+00 -0.11990E+00 62 0.584E+00-0.745E+00
gam= 0.382 g(H,U,f)= 0.179E+00 0.687E-02-0.209E+00 ort(H,U,f) = 0.156E+00 0.230E-02-0.109E+00
DMP: 50 -0.222581835669E+03 -0.73059E-01 0.16588E-02 62 -0.232E-01 0.498E-01
gam= 0.382 g(H,U,f)= 0.161E+00 0.922E-02 0.890E+00 ort(H,U,f) =-0.216E+00-0.105E-01-0.155E+01
DMP: 51 -0.222588900641E+03 -0.70650E-02 -0.15338E+00 62 0.106E+01-0.177E+01
gam= 0.382 g(H,U,f)= 0.188E-01 0.233E-02 0.380E+00 ort(H,U,f) =-0.215E-01-0.164E-02-0.148E+00
DMP: 52 -0.222607331830E+03 -0.18431E-01 -0.13431E+00 62 0.401E+00-0.171E+00
gam= 0.382 g(H,U,f)= 0.739E+00 0.166E+00 0.159E+02 ort(H,U,f) =-0.519E-01-0.281E-01-0.321E+01
DMP: 53 -0.222227287996E+03 0.38004E+00 -0.62190E+01 62 0.168E+02-0.329E+01
gam= 0.382 g(H,U,f)= 0.605E+00 0.162E-01-0.105E-01 ort(H,U,f) =-0.657E+00-0.290E-01 0.176E-01
DMP: 54 -0.222500285817E+03 -0.27300E+00 -0.14204E+00 62 0.611E+00-0.669E+00
gam= 0.382 g(H,U,f)= 0.130E+00 0.629E-02-0.547E-01 ort(H,U,f) = 0.160E+00 0.307E-02-0.295E-01
DMP: 55 -0.222599426221E+03 -0.99140E-01 -0.53219E-01 62 0.819E-01 0.134E+00
gam= 0.382 g(H,U,f)= 0.237E-01 0.430E-02 0.296E+00 ort(H,U,f) = 0.506E-01 0.564E-02 0.373E+00
DMP: 56 -0.222572752190E+03 0.26674E-01 -0.19528E+00 62 0.324E+00 0.429E+00
gam= 0.382 g(H,U,f)= 0.842E+01 0.196E+01 0.178E+03 ort(H,U,f) =-0.908E+00-0.290E+00-0.282E+02
DMP: 57 -0.218193144311E+03 0.43796E+01 -0.70753E+02 62 0.188E+03-0.294E+02
gam= 0.382 g(H,U,f)= 0.449E+01 0.969E-01-0.114E-25 ort(H,U,f) =-0.578E+01-0.243E+00 0.241E-25
DMP: 58 -0.221610749632E+03 -0.34176E+01 -0.91298E+00 62 0.458E+01-0.603E+01
gam= 0.382 g(H,U,f)= 0.126E+01 0.480E-01-0.335E-21 ort(H,U,f) = 0.114E+01-0.347E-02-0.851E-22
DMP: 59 -0.222301108386E+03 -0.69036E+00 -0.69609E+00 62 0.131E+01 0.114E+01
gam= 0.382 g(H,U,f)= 0.124E+00 0.431E-02-0.125E-06 ort(H,U,f) =-0.266E+00 0.389E-02-0.501E-06
DMP: 60 -0.222596035349E+03 -0.29493E+00 -0.11045E-01 62 0.128E+00-0.262E+00
gam= 0.382 g(H,U,f)= 0.263E+00 0.480E-02-0.687E-04 ort(H,U,f) =-0.136E+00-0.239E-04-0.328E-02
DMP: 61 -0.222572186967E+03 0.23848E-01 -0.85982E-01 62 0.268E+00-0.139E+00
gam= 0.382 g(H,U,f)= 0.902E-02 0.185E-02-0.159E+00 ort(H,U,f) = 0.263E-02 0.156E-02-0.177E+00
DMP: 62 -0.222597544739E+03 -0.25358E-01 0.85619E-01 62 -0.148E+00-0.173E+00
gam= 0.382 g(H,U,f)= 0.144E+00 0.142E-01 0.173E+01 ort(H,U,f) = 0.447E-01-0.582E-02-0.174E+01
DMP: 63 -0.222568577566E+03 0.28967E-01 -0.49705E+00 62 0.189E+01-0.170E+01
gam= 0.382 g(H,U,f)= 0.345E+00 0.129E-01 0.717E-01 ort(H,U,f) =-0.241E+00-0.935E-02-0.292E-01
DMP: 64 -0.222497836781E+03 0.70741E-01 -0.12924E+00 62 0.430E+00-0.280E+00
gam= 0.382 g(H,U,f)= 0.366E+01 0.911E+01 0.889E+02 ort(H,U,f) =-0.806E+00-0.182E+01-0.179E+02
DMP: 65 -0.220406601579E+03 0.20912E+01 -0.37537E+02 62 0.102E+03-0.205E+02
gam= 0.382 g(H,U,f)= 0.212E+01 0.520E-01-0.497E-12 ort(H,U,f) =-0.252E+01-0.122E+00 0.105E-11
DMP: 66 -0.222126221322E+03 -0.17196E+01 -0.46458E+00 62 0.217E+01-0.264E+01
gam= 0.382 g(H,U,f)= 0.564E+00 0.244E-01-0.989E-10 ort(H,U,f) = 0.572E+00 0.298E-02-0.271E-10
DMP: 67 -0.222476157949E+03 -0.34994E+00 -0.32325E+00 62 0.588E+00 0.575E+00
gam= 0.382 g(H,U,f)= 0.429E-01 0.194E-02-0.572E-03 ort(H,U,f) =-0.893E-01 0.336E-02-0.204E-02
DMP: 68 -0.222620009993E+03 -0.14385E+00 -0.42697E-02 62 0.443E-01-0.880E-01
gam= 0.382 g(H,U,f)= 0.562E-01 0.143E-02-0.979E-01 ort(H,U,f) =-0.299E-01 0.202E-02-0.259E+00
DMP: 69 -0.222587803520E+03 0.32206E-01 0.59903E-01 62 -0.402E-01-0.287E+00
gam= 0.382 g(H,U,f)= 0.619E+00 0.428E-01 0.713E+01 ort(H,U,f) = 0.569E-01-0.113E-01-0.413E+01
DMP: 70 -0.222412201748E+03 0.17560E+00 -0.24923E+01 62 0.779E+01-0.409E+01
gam= 0.382 g(H,U,f)= 0.379E+00 0.901E-02-0.232E+00 ort(H,U,f) =-0.506E+00-0.159E-01 0.287E+00
DMP: 71 -0.222546458967E+03 -0.13426E+00 -0.26539E-01 62 0.156E+00-0.236E+00
gam= 0.382 g(H,U,f)= 0.231E+00 0.109E-01-0.424E+00 ort(H,U,f) = 0.134E+00 0.287E-02-0.188E+00
DMP: 72 -0.222522988862E+03 0.23470E-01 0.80589E-01 62 -0.182E+00-0.511E-01
gam= 0.382 g(H,U,f)= 0.761E+01 0.126E+01 0.172E+03 ort(H,U,f) =-0.165E+01-0.218E+00-0.326E+02
DMP: 73 -0.218368809494E+03 0.41542E+01 -0.67082E+02 62 0.181E+03-0.345E+02
gam= 0.382 g(H,U,f)= 0.354E+01 0.824E-01-0.387E-24 ort(H,U,f) =-0.460E+01-0.219E+00 0.992E-24
DMP: 74 -0.221785398557E+03 -0.34166E+01 -0.71177E+00 62 0.362E+01-0.482E+01
gam= 0.382 g(H,U,f)= 0.108E+01 0.456E-01-0.483E-21 ort(H,U,f) = 0.946E+00-0.348E-02-0.167E-22
DMP: 75 -0.222335300475E+03 -0.54990E+00 -0.59522E+00 62 0.113E+01 0.943E+00
gam= 0.382 g(H,U,f)= 0.637E-01 0.397E-02-0.508E-07 ort(H,U,f) =-0.122E+00 0.743E-02-0.171E-06
DMP: 76 -0.222609171171E+03 -0.27387E+00 -0.95915E-02 62 0.677E-01-0.114E+00
gam= 0.382 g(H,U,f)= 0.213E+00 0.453E-02-0.228E-03 ort(H,U,f) =-0.141E+00-0.725E-04-0.497E-02
DMP: 77 -0.222583842580E+03 0.25329E-01 -0.64541E-01 62 0.217E+00-0.146E+00
gam= 0.382 g(H,U,f)= 0.714E-02 0.141E-02-0.138E+00 ort(H,U,f) = 0.111E-01 0.208E-02-0.176E+00
DMP: 78 -0.222601422278E+03 -0.17580E-01 0.76763E-01 62 -0.130E+00-0.163E+00
gam= 0.382 g(H,U,f)= 0.865E-01 0.636E-02 0.741E+00 ort(H,U,f) = 0.340E-01-0.147E-02-0.108E+01
DMP: 79 -0.222598477926E+03 0.29444E-02 -0.17398E+00 62 0.834E+00-0.104E+01
gam= 0.382 g(H,U,f)= 0.181E+00 0.580E-02 0.805E+00 ort(H,U,f) =-0.135E+00-0.458E-02-0.236E+00
DMP: 80 -0.222565984357E+03 0.32494E-01 -0.33932E+00 62 0.992E+00-0.376E+00
gam= 0.382 g(H,U,f)= 0.269E+01 0.813E+01 0.622E+02 ort(H,U,f) =-0.490E+00-0.137E+01-0.105E+02
DMP: 81 -0.221040581625E+03 0.15254E+01 -0.27302E+02 62 0.730E+02-0.124E+02
gam= 0.382 g(H,U,f)= 0.181E+01 0.414E-01-0.103E-08 ort(H,U,f) =-0.205E+01-0.932E-01 0.209E-08
DMP: 82 -0.222215899634E+03 -0.11753E+01 -0.41303E+00 62 0.185E+01-0.214E+01
gam= 0.382 g(H,U,f)= 0.416E+00 0.185E-01-0.969E-07 ort(H,U,f) = 0.464E+00 0.379E-02-0.311E-07
DMP: 83 -0.222517702010E+03 -0.30180E+00 -0.24536E+00 62 0.435E+00 0.468E+00
gam= 0.382 g(H,U,f)= 0.513E-01 0.160E-02-0.469E-02 ort(H,U,f) =-0.100E+00 0.282E-02-0.176E-01
DMP: 84 -0.222618957902E+03 -0.10126E+00 -0.17155E-02 62 0.482E-01-0.115E+00
gam= 0.382 g(H,U,f)= 0.265E-01 0.225E-02-0.119E+00 ort(H,U,f) = 0.801E-02 0.339E-02-0.180E+00
DMP: 85 -0.222568949026E+03 0.50009E-01 0.62118E-01 62 -0.907E-01-0.169E+00