On Fri, 16 May 2008, Lucas Fernandez Seivane wrote: LFS> Hi to the FORUM LFS> LFS> Sorry about the former message, I didn't put it in context. I am LFS> compiling espresso 4.0 on a ppc64 linux cluster, and I have a well LFS> known problem about ZHPEV. I am able to generate a nice pw.x, that LFS> works fine for many things but not for the example25. Also, I had a LFS> 3.2.2 binary that was able to run LDA+U calculations, but it also LFS> fails with this example, as LFS> enter write_ns LFS> U( 1) = 0.0000 U( 2) = 0.0000 U( 3) = 0.0000 LFS> alpha( 1) = 0.0000 alpha( 2) = 0.0000 alpha( 3) = 0.0000 LFS> atom 3 Tr[ns(na)]= 6.0000000 LFS> ** On entry to ZHPEV parameter number 1 had an illegal value LFS> LFS> Any help would be greatly apreciated.
so what is _your_ make.sys? are you using ESSL? there used to be a number of "LAPACK" calls in ESSL that use a different calling sequence (for historical reasons). have you tried compiling ZHPEV from original LAPACK source and link with it first? cheers, axel. LFS> On Fri, May 16, 2008 at 5:34 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote: LFS> > LFS> > On Fri, May 16, 2008 17:16, Lucas Fernandez Seivane wrote: LFS> >> I am trying to compile espresso 4.0 but I always fall with this LFS> >> problem. Do you have a make.sys for ppc970 + Linux? LFS> > LFS> > Dear Lucas, LFS> > which problem? LFS> > LFS> > regards LFS> > LFS> > -- LFS> > Lorenzo Paulatto LFS> > SISSA & DEMOCRITOS (Trieste) LFS> > +39 040 3787 511 LFS> > http://people.sissa.it/~paulatto/ LFS> > LFS> > LFS> > ---------------------------------------------------------------- LFS> > SISSA Webmail https://webmail.sissa.it/ LFS> > Powered by SquirrelMail http://www.squirrelmail.org/ LFS> > LFS> > _______________________________________________ LFS> > Pw_forum mailing list LFS> > Pw_forum at pwscf.org LFS> > http://www.democritos.it/mailman/listinfo/pw_forum LFS> > LFS> _______________________________________________ LFS> Pw_forum mailing list LFS> Pw_forum at pwscf.org LFS> http://www.democritos.it/mailman/listinfo/pw_forum LFS> -- ======================================================================= 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 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
