Issue with pspw using nwchem 6.3 on AMD Bulldozer -- bug in nwchem 6.3?


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Gets Around
Can you please post the Summary of Results, e.g.

Summary Of Results


number of electrons: spin up=    7.00000  down=    7.00000 (real space)

total     energy    :  -0.2254228231E+02 (   -0.45085E+01/ion)
total orbital energy: -0.6114738729E+01 ( -0.87353E+00/electron)
hartree energy  : 0.2391267902E+02 ( 0.34161E+01/electron)
exc-corr energy  : -0.5747045706E+01 ( -0.82101E+00/electron)
ion-ion energy  : 0.5903932944E+01 ( 0.11808E+01/ion)

kinetic (planewave) :   0.1104958211E+02 (    0.15785E+01/electron)
V_local (planewave) : -0.6055683262E+02 ( -0.86510E+01/electron)
V_nl (planewave) : 0.2895401936E+01 ( 0.41363E+00/electron)
V_Coul (planewave) : 0.4782535804E+02 ( 0.68322E+01/electron)
V_xc. (planewave) : -0.7328248198E+01 ( -0.10469E+01/electron)
Virial Coefficient  : -0.1553390949E+01

orbital energies:
-0.2521628E+00 ( -6.862eV)
-0.2521713E+00 ( -6.862eV)
-0.3687064E+00 ( -10.033eV)
-0.3946239E+00 ( -10.738eV)
-0.3947258E+00 ( -10.741eV)
-0.6150274E+00 ( -16.736eV)
-0.7799517E+00 ( -21.224eV)

Total PSPW energy   :  -0.2254228231E+02