[QE-users] Help on QE + GPU + OpenMP compilation

[Giovanni Cantele]

It was the lates stable (qe-6.7-ReleasePack.tgz).

Where can I find the all needed environment variables?

Thanks,

Giovanni

> On 15 Apr 2021, at 14:44, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:
> 
> On Thu, Apr 15, 2021 at 2:01 PM Giovanni Cantele <giovanni.cantele at spin.cnr.it <mailto:giovanni.cantele at spin.cnr.it>> wrote:
> 
> I’m trying to compile the latest QE version
> 
> "latest stable" or "latest development"? GPU support is work in progress (or maybe "in regress"): don't count on the stable version to support the latest compiler. 
>  
> I can tell you for sure that with a correct nvidia hpc_sdk 21.3 installation + all needed environment variables defined + all needed configure options (+ MKL libraries: I don't trust too much blas and lapack from the nvidia compiler) the latest development version compiles and works.
> 
> Paolo
> -- 
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> 
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