[Pw_forum] error message when calculated the phonon freqency

[Axel Kohlmeyer]

On Fri, 23 Feb 2007, [big5] ³¯ ¤ÖµØ wrote:

> Dear Paolo,
> I compiled the QE-3.2 on IBM P690 .
> I  searching the mailing list archives and it showed
> below:
> 
> 
> > > > There is Paolo's comments on this: 
> > > > >ESSL contains a version of ZHPEV  that is
> > > > incompatible 
> > > > > with ZHPEV provided by LAPACK. If __AIX is
> > > defined,
> > > > > the former is used.
> > > > > Load ESSL before LAPACK.
> > > > 
> > > > Try to follow this advice, i.e. recompile PWSCF
> > > with
> > > > options -lessl -llapack.
> > > > 
> > > > Bests,
> > > > Eyvaz.
> 
> So I tried to rewrite the part of the make.sys as
> below:
> 
> BLAS_LIBS      = -lessl
> LAPACK_LIBS    =  ../flib/lapack.a -lessl -llapack
> 
> note: I added "-lessl -llapack"
> Then I "make all",but no *.x in bin/
> Where did I wrong  with that new setting ?

well, there must have been some error messages.
without telling us what they were, nobody can help you.

axel.


> 
> P.S. the origional make.sys can let me make pw ,ph ...
> well.
> max
> 
> 
> --- Paolo Giannozzi <giannozz at nest.sns.it> »¡¡G
> 
> > 
> > On Feb 22, 2007, at 11:04 , ³¯ ¤ÖµØ wrote:
> > 
> > > Dear members,
> > > When I calculated the phonon freqency.The error
> > > message showed up
> > > "** On entry to ZHPEV  parameter number  1 had an
> > > illegal value"
> > >
> > > Does anyone know what it means ?
> > 
> > it is explained both in the users' guide and in
> > several
> > messages you can find by searching the mailing list
> > archives.
> > 
> > Paolo
> > ---
> > Paolo Giannozzi, Democritos and University of Udine,
> > Italy
> > 
> > 
> > _______________________________________________
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> > Pw_forum at pwscf.org
> > http://www.democritos.it/mailman/listinfo/pw_forum
> > 
> 
> 
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-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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If you make something idiot-proof, the universe creates a better idiot.