[Wien] lapw1c ERROR on Opteron

[Peter Blaha]

> I managed to compile successfully the whole package with no errors using
> two different libraries , lapack/blas from the distribution( thanks to your
> tip! ) and using 'acml' which is an Opteron optimized library from AMD.
> I run some tests with a simple structure (TiC) which doesn't require
> complex calculation and everything works fine.
> When I tried to do some calculation on a simple structure which require
> complex calculation everything (struct. gen, initialization) works fine
> till 'scf'. Lapw1c gives the same error message:
> "
> Cholesky INFO =             1
>   'SECLR4' - POTRF (Scalapack/LAPACK) failed.
> "

One guess: When installing "manually", i.e. with      make
you get only the "real" version. You must use         make complex
to compile and generate    lapw1c

Otherwise, I have no idea.


                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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