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 SiO C H N
POSCAR found : 5 types and 22 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 0.474611614299E+03 0.47461E+03 -0.70934E+03 38 0.634E+02
DAV: 2 0.143761492295E+03 -0.33085E+03 -0.30891E+03 38 0.170E+02
DAV: 3 -0.200472354962E+03 -0.34423E+03 -0.31831E+03 38 0.177E+02
DAV: 4 -0.382333782204E+03 -0.18186E+03 -0.17771E+03 38 0.178E+02
DAV: 5 -0.121145681699E+03 0.26119E+03 -0.61107E+02 38 0.105E+02
gam= 0.000 g(H,U,f)= 0.163E+03 0.322E+01-0.742E-14 ort(H,U,f) = 0.000E+00 0.000E+00 0.000E+00
SDA: 6 -0.862905511960E+02 0.34855E+02 -0.66446E+02 38 0.166E+03 0.000E+00
gam= 0.382 g(H,U,f)= 0.487E+02 0.303E+00 0.867E-37 ort(H,U,f) =-0.450E+02 0.913E+00-0.232E-35
DMP: 7 -0.112025969418E+03 -0.25735E+02 -0.12874E+02 38 0.490E+02-0.441E+02
gam= 0.382 g(H,U,f)= 0.205E+02 0.438E+00-0.814E-10 ort(H,U,f) =-0.932E+00-0.132E+01-0.650E-09
DMP: 8 -0.118025753064E+03 -0.59998E+01 -0.80227E+01 38 0.209E+02-0.225E+01
gam= 0.382 g(H,U,f)= 0.582E+01 0.248E+00-0.783E-06 ort(H,U,f) =-0.215E+01 0.536E+00-0.122E-05
DMP: 9 -0.121519322600E+03 -0.34936E+01 -0.21779E+01 38 0.606E+01-0.162E+01
gam= 0.382 g(H,U,f)= 0.257E+01 0.155E+00-0.104E-04 ort(H,U,f) = 0.129E+00 0.385E+00-0.135E-04
DMP: 10 -0.122721479316E+03 -0.12022E+01 -0.11671E+01 38 0.272E+01 0.514E+00
gam= 0.382 g(H,U,f)= 0.952E+00 0.153E+00-0.400E-03 ort(H,U,f) =-0.491E-01-0.261E-01-0.152E-03
DMP: 11 -0.123303007706E+03 -0.58153E+00 -0.43029E+00 38 0.110E+01-0.753E-01
gam= 0.382 g(H,U,f)= 0.341E+00 0.329E-01-0.138E-02 ort(H,U,f) = 0.737E-01 0.817E-01-0.488E-02
DMP: 12 -0.123553366083E+03 -0.25036E+00 -0.17196E+00 38 0.372E+00 0.151E+00
gam= 0.382 g(H,U,f)= 0.143E+00 0.278E-01-0.126E-02 ort(H,U,f) = 0.199E-01 0.472E-01-0.691E-02
DMP: 13 -0.123651977962E+03 -0.98612E-01 -0.76920E-01 38 0.169E+00 0.602E-01
gam= 0.382 g(H,U,f)= 0.723E-01 0.663E-01-0.154E-01 ort(H,U,f) = 0.167E-01 0.191E-01-0.177E-01
DMP: 14 -0.123695363575E+03 -0.43386E-01 -0.52032E-01 38 0.123E+00 0.181E-01
gam= 0.382 g(H,U,f)= 0.620E-01 0.209E+00-0.449E-02 ort(H,U,f) =-0.444E-03-0.114E+00 0.961E-02
DMP: 15 -0.123711632324E+03 -0.16269E-01 -0.90792E-01 38 0.267E+00-0.104E+00
gam= 0.382 g(H,U,f)= 0.146E+00 0.524E+00-0.672E-01 ort(H,U,f) =-0.572E-01-0.218E+00 0.120E-01
DMP: 16 -0.123694712104E+03 0.16920E-01 -0.20096E+00 38 0.603E+00-0.263E+00
gam= 0.382 g(H,U,f)= 0.818E+00 0.757E+01 0.206E-01 ort(H,U,f) =-0.275E+00-0.239E+01-0.111E-01
DMP: 17 -0.123439871816E+03 0.25484E+00 -0.29558E+01 38 0.841E+01-0.268E+01
gam= 0.382 g(H,U,f)= 0.157E+01 0.128E+01-0.332E+00 ort(H,U,f) =-0.994E+00-0.928E+00 0.225E+00
DMP: 18 -0.123270936542E+03 0.16894E+00 -0.74773E+00 38 0.252E+01-0.170E+01
gam= 0.382 g(H,U,f)= 0.156E+01 0.161E+02 0.123E-02 ort(H,U,f) =-0.123E+01-0.108E+02-0.272E-02
DMP: 19 -0.123155570748E+03 0.11537E+00 -0.52086E+01 38 0.176E+02-0.120E+02
gam= 0.382 g(H,U,f)= 0.129E+01 0.998E+00-0.209E+00 ort(H,U,f) =-0.995E+00-0.836E+00 0.163E+00
DMP: 20 -0.123273894862E+03 -0.11832E+00 -0.57812E+00 38 0.208E+01-0.167E+01
gam= 0.382 g(H,U,f)= 0.386E+00 0.331E+01 0.130E+00 ort(H,U,f) =-0.496E+00-0.459E+01-0.194E+00
DMP: 21 -0.123613947241E+03 -0.34005E+00 -0.72422E+00 38 0.383E+01-0.528E+01
gam= 0.382 g(H,U,f)= 0.266E+00 0.158E+01-0.165E+00 ort(H,U,f) =-0.161E+00-0.703E+00 0.722E-01
DMP: 22 -0.123607603782E+03 0.63435E-02 -0.55037E+00 38 0.168E+01-0.792E+00
gam= 0.382 g(H,U,f)= 0.304E+01 0.389E+02 0.162E+01 ort(H,U,f) =-0.736E+00-0.994E+01-0.415E+00
DMP: 23 -0.122246654633E+03 0.13609E+01 -0.15725E+02 38 0.435E+02-0.111E+02
gam= 0.382 g(H,U,f)= 0.273E+01 0.779E+00-0.110E-04 ort(H,U,f) =-0.255E+01-0.866E+00 0.116E-04
DMP: 24 -0.122749295113E+03 -0.50264E+00 -0.88343E+00 38 0.351E+01-0.342E+01
gam= 0.382 g(H,U,f)= 0.522E+00 0.115E+01-0.979E+00 ort(H,U,f) = 0.742E+00 0.117E+01-0.104E+01
DMP: 25 -0.123432260380E+03 -0.68297E+00 -0.41068E+00 38 0.693E+00 0.874E+00
gam= 0.382 g(H,U,f)= 0.102E+02 0.159E+02-0.160E+02 ort(H,U,f) =-0.371E+01-0.609E+01 0.580E+01
DMP: 26 -0.118906598367E+03 0.45257E+01 -0.34405E+01 38 0.101E+02-0.400E+01
gam= 0.382 g(H,U,f)= 0.389E+01 0.935E+00-0.113E-12 ort(H,U,f) =-0.502E+01-0.149E+01 0.171E-12
DMP: 27 -0.122306174745E+03 -0.33996E+01 -0.93587E+00 38 0.483E+01-0.651E+01
gam= 0.382 g(H,U,f)= 0.139E+01 0.526E+00-0.631E-04 ort(H,U,f) = 0.114E+01 0.278E+00-0.373E-04
DMP: 28 -0.123058214438E+03 -0.75204E+00 -0.98491E+00 38 0.192E+01 0.142E+01
gam= 0.382 g(H,U,f)= 0.660E+01 0.549E+02 0.277E+02 ort(H,U,f) =-0.412E+01-0.352E+02-0.173E+02
DMP: 29 -0.120619599440E+03 0.24386E+01 -0.27083E+02 38 0.893E+02-0.565E+02
gam= 0.382 g(H,U,f)= 0.193E+01 0.604E+00-0.569E-07 ort(H,U,f) =-0.260E+01-0.813E+00 0.734E-07
DMP: 30 -0.122852865108E+03 -0.22333E+01 -0.49313E+00 38 0.254E+01-0.341E+01
gam= 0.382 g(H,U,f)= 0.759E+00 0.437E+00-0.762E-01 ort(H,U,f) = 0.584E+00 0.289E+00-0.535E-01
DMP: 31 -0.123269134428E+03 -0.41627E+00 -0.57318E+00 38 0.112E+01 0.819E+00
gam= 0.382 g(H,U,f)= 0.972E+01 0.251E+02 0.132E+02 ort(H,U,f) =-0.370E+01-0.106E+02-0.547E+01
DMP: 32 -0.118705751760E+03 0.45634E+01 -0.16161E+02 38 0.479E+02-0.198E+02
gam= 0.382 g(H,U,f)= 0.359E+01 0.101E+01-0.173E-15 ort(H,U,f) =-0.473E+01-0.152E+01 0.244E-15
DMP: 33 -0.122250015509E+03 -0.35443E+01 -0.88439E+00 38 0.460E+01-0.625E+01
gam= 0.382 g(H,U,f)= 0.143E+01 0.540E+00-0.103E-04 ort(H,U,f) = 0.109E+01 0.302E+00-0.620E-05
DMP: 34 -0.122970084709E+03 -0.72007E+00 -0.99966E+00 38 0.197E+01 0.139E+01
gam= 0.382 g(H,U,f)= 0.622E+01 0.433E+02 0.427E+02 ort(H,U,f) =-0.395E+01-0.290E+02-0.285E+02
DMP: 35 -0.120585048419E+03 0.23850E+01 -0.27511E+02 38 0.923E+02-0.615E+02
gam= 0.382 g(H,U,f)= 0.193E+01 0.625E+00-0.132E-06 ort(H,U,f) =-0.250E+01-0.807E+00 0.165E-06
DMP: 36 -0.122801659887E+03 -0.22166E+01 -0.51562E+00 38 0.255E+01-0.331E+01
gam= 0.382 g(H,U,f)= 0.772E+00 0.457E+00-0.191E+00 ort(H,U,f) = 0.609E+00 0.317E+00-0.138E+00
DMP: 37 -0.123233889992E+03 -0.43223E+00 -0.53560E+00 38 0.104E+01 0.788E+00
gam= 0.382 g(H,U,f)= 0.979E+01 0.130E+02-0.181E+02 ort(H,U,f) =-0.373E+01-0.544E+01 0.758E+01
DMP: 38 -0.118506372497E+03 0.47275E+01 -0.16327E+01 38 0.469E+01-0.159E+01
gam= 0.382 g(H,U,f)= 0.357E+01 0.102E+01-0.597E-15 ort(H,U,f) =-0.469E+01-0.156E+01 0.834E-15
DMP: 39 -0.122218437736E+03 -0.37121E+01 -0.88017E+00 38 0.459E+01-0.625E+01
gam= 0.382 g(H,U,f)= 0.142E+01 0.557E+00-0.155E-04 ort(H,U,f) = 0.108E+01 0.302E+00-0.903E-05
DMP: 40 -0.122934722638E+03 -0.71628E+00 -0.10037E+01 38 0.198E+01 0.139E+01
gam= 0.382 g(H,U,f)= 0.662E+01 0.363E+02 0.512E+02 ort(H,U,f) =-0.405E+01-0.232E+02-0.328E+02
DMP: 41 -0.120252448396E+03 0.26823E+01 -0.28467E+02 38 0.941E+02-0.601E+02
gam= 0.382 g(H,U,f)= 0.212E+01 0.693E+00-0.112E-07 ort(H,U,f) =-0.271E+01-0.908E+00 0.143E-07
DMP: 42 -0.122703092405E+03 -0.24506E+01 -0.57365E+00 38 0.282E+01-0.362E+01
gam= 0.382 g(H,U,f)= 0.841E+00 0.461E+00-0.802E-01 ort(H,U,f) = 0.674E+00 0.314E+00-0.564E-01
DMP: 43 -0.123181916903E+03 -0.47882E+00 -0.63107E+00 38 0.122E+01 0.932E+00
gam= 0.382 g(H,U,f)= 0.961E+01 0.136E+02-0.139E+02 ort(H,U,f) =-0.387E+01-0.593E+01 0.610E+01
DMP: 44 -0.118524736573E+03 0.46572E+01 -0.31408E+01 38 0.926E+01-0.369E+01
gam= 0.382 g(H,U,f)= 0.345E+01 0.102E+01-0.110E-14 ort(H,U,f) =-0.448E+01-0.154E+01 0.152E-14
DMP: 45 -0.122243755186E+03 -0.37190E+01 -0.86565E+00 38 0.447E+01-0.603E+01
gam= 0.382 g(H,U,f)= 0.136E+01 0.557E+00-0.211E-04 ort(H,U,f) = 0.104E+01 0.306E+00-0.124E-04
DMP: 46 -0.122945647702E+03 -0.70189E+00 -0.97146E+00 38 0.191E+01 0.135E+01
gam= 0.382 g(H,U,f)= 0.664E+01 0.356E+02 0.517E+02 ort(H,U,f) =-0.397E+01-0.225E+02-0.329E+02
DMP: 47 -0.120230936472E+03 0.27147E+01 -0.28507E+02 38 0.939E+02-0.594E+02
gam= 0.382 g(H,U,f)= 0.215E+01 0.707E+00-0.917E-08 ort(H,U,f) =-0.273E+01-0.925E+00 0.118E-07
DMP: 48 -0.122693121533E+03 -0.24622E+01 -0.58329E+00 38 0.285E+01-0.365E+01
gam= 0.382 g(H,U,f)= 0.834E+00 0.466E+00-0.710E-01 ort(H,U,f) = 0.675E+00 0.318E+00-0.497E-01
DMP: 49 -0.123178023601E+03 -0.48490E+00 -0.63603E+00 38 0.123E+01 0.943E+00
gam= 0.382 g(H,U,f)= 0.962E+01 0.143E+02-0.119E+02 ort(H,U,f) =-0.388E+01-0.625E+01 0.525E+01
DMP: 50 -0.118534068281E+03 0.46440E+01 -0.40341E+01 38 0.119E+02-0.488E+01
gam= 0.382 g(H,U,f)= 0.346E+01 0.103E+01-0.106E-14 ort(H,U,f) =-0.446E+01-0.155E+01 0.144E-14
DMP: 51 -0.122246874039E+03 -0.37128E+01 -0.87706E+00 38 0.449E+01-0.601E+01
gam= 0.382 g(H,U,f)= 0.134E+01 0.558E+00-0.179E-04 ort(H,U,f) = 0.104E+01 0.308E+00-0.105E-04
DMP: 52 -0.122953422911E+03 -0.70655E+00 -0.96406E+00 38 0.190E+01 0.135E+01
gam= 0.382 g(H,U,f)= 0.642E+01 0.380E+02 0.488E+02 ort(H,U,f) =-0.389E+01-0.247E+02-0.318E+02
DMP: 53 -0.120426580385E+03 0.25268E+01 -0.28060E+02 38 0.932E+02-0.604E+02
gam= 0.382 g(H,U,f)= 0.206E+01 0.680E+00-0.450E-07 ort(H,U,f) =-0.261E+01-0.875E+00 0.569E-07
DMP: 54 -0.122737175775E+03 -0.23106E+01 -0.56481E+00 38 0.274E+01-0.349E+01
gam= 0.382 g(H,U,f)= 0.787E+00 0.469E+00-0.131E+00 ort(H,U,f) = 0.641E+00 0.328E+00-0.929E-01
DMP: 55 -0.123205111972E+03 -0.46794E+00 -0.58401E+00 38 0.113E+01 0.875E+00
gam= 0.382 g(H,U,f)= 0.994E+01 0.136E+02-0.163E+02 ort(H,U,f) =-0.386E+01-0.578E+01 0.696E+01
DMP: 56 -0.118505758189E+03 0.46994E+01 -0.24871E+01 38 0.724E+01-0.268E+01
gam= 0.382 g(H,U,f)= 0.367E+01 0.104E+01-0.727E-15 ort(H,U,f) =-0.467E+01-0.158E+01 0.991E-15
DMP: 57 -0.122211331747E+03 -0.37056E+01 -0.92783E+00 38 0.471E+01-0.626E+01
gam= 0.382 g(H,U,f)= 0.137E+01 0.561E+00-0.132E-04 ort(H,U,f) = 0.108E+01 0.309E+00-0.769E-05
DMP: 58 -0.122952102643E+03 -0.74077E+00 -0.98485E+00 38 0.193E+01 0.139E+01
gam= 0.382 g(H,U,f)= 0.635E+01 0.403E+02 0.460E+02 ort(H,U,f) =-0.394E+01-0.269E+02-0.307E+02
DMP: 59 -0.120583905281E+03 0.23682E+01 -0.27643E+02 38 0.926E+02-0.615E+02
gam= 0.382 g(H,U,f)= 0.201E+01 0.655E+00-0.162E-06 ort(H,U,f) =-0.254E+01-0.832E+00 0.202E-06
DMP: 60 -0.122775903559E+03 -0.21920E+01 -0.54939E+00 38 0.266E+01-0.337E+01
gam= 0.382 g(H,U,f)= 0.751E+00 0.471E+00-0.209E+00 ort(H,U,f) = 0.615E+00 0.335E+00-0.151E+00
DMP: 61 -0.123228788805E+03 -0.45289E+00 -0.52718E+00 38 0.101E+01 0.799E+00
gam= 0.382 g(H,U,f)= 0.103E+02 0.131E+02-0.192E+02 ort(H,U,f) =-0.386E+01-0.541E+01 0.797E+01
DMP: 62 -0.118466131894E+03 0.47627E+01 -0.14941E+01 38 0.423E+01-0.130E+01
gam= 0.382 g(H,U,f)= 0.391E+01 0.106E+01-0.253E-13 ort(H,U,f) =-0.494E+01-0.162E+01 0.395E-13
DMP: 63 -0.122166384204E+03 -0.37003E+01 -0.98513E+00 38 0.497E+01-0.656E+01
gam= 0.382 g(H,U,f)= 0.141E+01 0.563E+00-0.971E-05 ort(H,U,f) = 0.113E+01 0.310E+00-0.567E-05
DMP: 64 -0.122946951620E+03 -0.78057E+00 -0.10111E+01 38 0.198E+01 0.144E+01
gam= 0.382 g(H,U,f)= 0.636E+01 0.419E+02 0.440E+02 ort(H,U,f) =-0.404E+01-0.285E+02-0.299E+02
DMP: 65 -0.120679078778E+03 0.22679E+01 -0.27353E+02 38 0.922E+02-0.624E+02
gam= 0.382 g(H,U,f)= 0.198E+01 0.637E+00-0.359E-06 ort(H,U,f) =-0.251E+01-0.804E+00 0.444E-06
DMP: 66 -0.122800512221E+03 -0.21214E+01 -0.53993E+00 38 0.262E+01-0.332E+01
gam= 0.382 g(H,U,f)= 0.730E+00 0.472E+00-0.278E+00 ort(H,U,f) = 0.600E+00 0.340E+00-0.203E+00
DMP: 67 -0.123243319906E+03 -0.44281E+00 -0.48243E+00 38 0.924E+00 0.737E+00
gam= 0.382 g(H,U,f)= 0.106E+02 0.127E+02-0.208E+02 ort(H,U,f) =-0.387E+01-0.515E+01 0.851E+01
DMP: 68 -0.118433849158E+03 0.48095E+01 -0.90607E+00 38 0.246E+01-0.510E+00
gam= 0.382 g(H,U,f)= 0.408E+01 0.108E+01-0.273E-15 ort(H,U,f) =-0.514E+01-0.164E+01 0.369E-15
DMP: 69 -0.122133599540E+03 -0.36998E+01 -0.10276E+01 38 0.516E+01-0.678E+01
gam= 0.382 g(H,U,f)= 0.144E+01 0.564E+00-0.780E-05 ort(H,U,f) = 0.117E+01 0.311E+00-0.456E-05
DMP: 70 -0.122943246065E+03 -0.80965E+00 -0.10290E+01 38 0.201E+01 0.148E+01
gam= 0.382 g(H,U,f)= 0.638E+01 0.429E+02 0.426E+02 ort(H,U,f) =-0.410E+01-0.295E+02-0.293E+02
DMP: 71 -0.120738166917E+03 0.22051E+01 -0.27125E+02 38 0.919E+02-0.630E+02
gam= 0.382 g(H,U,f)= 0.197E+01 0.626E+00-0.597E-06 ort(H,U,f) =-0.250E+01-0.786E+00 0.734E-06
DMP: 72 -0.122815415666E+03 -0.20772E+01 -0.53507E+00 38 0.259E+01-0.329E+01
gam= 0.382 g(H,U,f)= 0.717E+00 0.475E+00-0.333E+00 ort(H,U,f) = 0.592E+00 0.345E+00-0.245E+00
DMP: 73 -0.123252213375E+03 -0.43680E+00 -0.44901E+00 38 0.858E+00 0.692E+00
gam= 0.382 g(H,U,f)= 0.108E+02 0.124E+02-0.219E+02 ort(H,U,f) =-0.388E+01-0.497E+01 0.885E+01
DMP: 74 -0.118414305476E+03 0.48379E+01 -0.50688E+00 38 0.127E+01 0.236E-02
gam= 0.382 g(H,U,f)= 0.420E+01 0.108E+01-0.216E-15 ort(H,U,f) =-0.526E+01-0.166E+01 0.293E-15
DMP: 75 -0.122112966382E+03 -0.36987E+01 -0.10554E+01 38 0.528E+01-0.692E+01
gam= 0.382 g(H,U,f)= 0.146E+01 0.565E+00-0.689E-05 ort(H,U,f) = 0.120E+01 0.311E+00-0.403E-05
DMP: 76 -0.122941396969E+03 -0.82843E+00 -0.10398E+01 38 0.202E+01 0.151E+01
gam= 0.382 g(H,U,f)= 0.640E+01 0.436E+02 0.416E+02 ort(H,U,f) =-0.414E+01-0.302E+02-0.289E+02
DMP: 77 -0.120776192570E+03 0.21652E+01 -0.26961E+02 38 0.916E+02-0.633E+02
gam= 0.382 g(H,U,f)= 0.196E+01 0.619E+00-0.825E-06 ort(H,U,f) =-0.249E+01-0.775E+00 0.101E-05
DMP: 78 -0.122824891160E+03 -0.20487E+01 -0.53246E+00 38 0.258E+01-0.327E+01
gam= 0.382 g(H,U,f)= 0.708E+00 0.477E+00-0.373E+00 ort(H,U,f) = 0.588E+00 0.348E+00-0.276E+00
DMP: 79 -0.123257942143E+03 -0.43305E+00 -0.42554E+00 38 0.812E+00 0.660E+00
gam= 0.382 g(H,U,f)= 0.109E+02 0.122E+02-0.225E+02 ort(H,U,f) =-0.389E+01-0.486E+01 0.903E+01
DMP: 80 -0.118400922240E+03 0.48570E+01 -0.28720E+00 38 0.610E+00 0.283E+00
gam= 0.382 g(H,U,f)= 0.428E+01 0.109E+01-0.184E-15 ort(H,U,f) =-0.535E+01-0.167E+01 0.248E-15
DMP: 81 -0.122098575564E+03 -0.36977E+01 -0.10748E+01 38 0.537E+01-0.702E+01
gam= 0.382 g(H,U,f)= 0.147E+01 0.565E+00-0.632E-05 ort(H,U,f) = 0.121E+01 0.311E+00-0.370E-05
DMP: 82 -0.122940046123E+03 -0.84147E+00 -0.10472E+01 38 0.204E+01 0.152E+01
gam= 0.382 g(H,U,f)= 0.641E+01 0.440E+02 0.409E+02 ort(H,U,f) =-0.416E+01-0.307E+02-0.286E+02
DMP: 83 -0.120801559639E+03 0.21385E+01 -0.26842E+02 38 0.913E+02-0.635E+02
gam= 0.382 g(H,U,f)= 0.196E+01 0.615E+00-0.103E-05 ort(H,U,f) =-0.249E+01-0.767E+00 0.125E-05
DMP: 84 -0.122831036200E+03 -0.20295E+01 -0.53113E+00 38 0.257E+01-0.325E+01
gam= 0.382 g(H,U,f)= 0.702E+00 0.478E+00-0.403E+00 ort(H,U,f) = 0.585E+00 0.350E+00-0.298E+00
DMP: 85 -0.123261750540E+03 -0.43071E+00 -0.40854E+00 38 0.778E+00 0.637E+00
gam= 0.382 g(H,U,f)= 0.110E+02 0.121E+02-0.230E+02 ort(H,U,f) =-0.389E+01-0.478E+01 0.915E+01
DMP: 86 -0.118391897717E+03 0.48699E+01 -0.13633E+00 38 0.160E+00 0.473E+00
gam= 0.382 g(H,U,f)= 0.434E+01 0.109E+01-0.166E-15 ort(H,U,f) =-0.541E+01-0.168E+01 0.224E-15
DMP: 87 -0.122088859272E+03 -0.36970E+01 -0.10880E+01 38 0.543E+01-0.709E+01
gam= 0.382 g(H,U,f)= 0.148E+01 0.565E+00-0.598E-05 ort(H,U,f) = 0.122E+01 0.311E+00-0.350E-05
DMP: 88 -0.122939166434E+03 -0.85031E+00 -0.10521E+01 38 0.204E+01 0.154E+01