Hi, if I compile espresso-4.0.4 with ifort and -i8 option I get the error:<br><br> Program PWSCF v.4.0.4 starts ...<br> Today is 2Jun2009 at 14:46: 4<br><br> For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW<br>
<br> Current dimensions of program pwscf are:<br> Max number of different atomic species (ntypx) = 10<br> Max number of k-points (npk) = 40000<br> Max angular momentum in pseudopotentials (lmaxx) = 3<br>
<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% <br>from invmat : error #**********<br> error in DGETRF<br> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
stopping ...<br><br>I've take a look in ESPRESSO_HOME/flib/invmat.f90 but the error don't say much.<br><br>Thank you very much!<br><br>Ary Junior<br>