[Pw_forum] Problem with a run on IBM

[Paolo Giannozzi]

On Wednesday 02 July 2003 16:09, Giovanni Cantele wrote:
> I'm trying to do a very simple run on an IBM sp3 machine [...].
> I encountered problems when using  H.pz-vbc.UPF or the old
> H.vbc pseudopotential [...].
> The three runs all work on an alpha machine. Perhaps there should be
> some error in compiling on sp. Does anyone know what is the problem?

it is fixed in the development version. IBM sp3 doesn't seem to like
allocation of vectors with zero length. As a workaround, add the 
following lines at the beginnning of subroutine read_pseudo_nl, in
file Modules/readpseudo.f90:

  if ( upf%nbeta == 0) then
     upf%nqf = 0
     upf%nqlc= 0
     return
  end if

Paolo
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050509412
Piazza dei Cavalieri 7      Fax:     +39/050509417, 050563513     
I-56126 Pisa, Italy         Office:  Lab. NEST, Via della Faggiola 19