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

[Giovanni Cantele]

I downloaded the latest development version. Could you share the needed configure options and environment variables that allowed you to get a clean compilation?

Thank you again,

    Giovanni

> On 15 Apr 2021, at 14:50, Giovanni Cantele <giovanni.cantele at spin.cnr.it> wrote:
> 
> 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 <mailto: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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