[Pw_forum] QE 6.0 major include changes?

[Paolo Giannozzi]

'--with-netlib' replaces '--with-internal-lapack' and '--with-internal-blas'

On Thu, Oct 27, 2016 at 5:30 PM, Downs, Andrew S CTR USARMY ARL (US) <
andrew.s.downs3.ctr at mail.mil> wrote:

> Hello All,
>
> I'm trying to compile (ideally) QE 6.0 on a Cray XC-40 with the intel 16
> compiler.  I tried to diagnose a linking issue that showed many undefined
> references (I'm sure I'm not setting up make.inc correctly) but even after
> I tried making several drastic changes, I kept running into the same issue
> with undefined references.  I gave up and tried to see if I could even get
> it to build with GCC, and have also had no luck.
>
> I notice in the new make.inc file:
>
> # If you have nothing better, use the local copy :
> # BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
> # BLAS_LIBS_SWITCH = internal
>
> I'd love to use as many 'internal' items as I can to remove variables for
> linking failure, but I can't even find blas.a !  It looks like it's not
> included with QE 6, neither is LAPACK or SCALAPACK.
>
> Have internal options been ripped from the distribution in 6?  I noticed
> configure didn't understand '--with-internal-lapack' ect.
>
> I'm not sure what I can compile against with GCC if internal options are
> not available.  Has anyone been able to build QE 6 yet?
>
> -Andrew
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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