[Pw_forum] Error after compile with -i8 ifort option

Ary Junior aryjunior at gmail.com
Wed Jun 3 03:30:40 CEST 2009


Hi, if I compile espresso-4.0.4 with ifort and -i8 option I get the error:

     Program PWSCF     v.4.0.4  starts ...
     Today is  2Jun2009 at 14:46: 4

     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW

     Current dimensions of program pwscf are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

from invmat : error #**********
     error in DGETRF
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     stopping ...

I've take a look in ESPRESSO_HOME/flib/invmat.f90 but the error don't say
much.

Thank you very much!

Ary Junior
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