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

[Paolo Giannozzi]

On Thu, Apr 15, 2021 at 2:01 PM Giovanni Cantele <
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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