[QE-users] QE GPU v6.4a1

[Pietro Bonfa']

Dear QE users,

did you know that a new GPU accelerated version of QuantumESPRESSO is 
actively developed and is going to be progressively integrated into the 
official distribution?

The first alpha release of QE-GPU has just gone public and is available 
here:

https://gitlab.com/QEF/q-e-gpu/releases

It features an accelerated version of pw.x that supports all the options 
of the standard version and can speed up both Gamma point and k-point 
simulations. Both Davidson and CG solvers have been ported to GPU and 
the time to solution for spin polarized systems (both collinear and non 
collinear) is also sizably reduced on accelerated systems.

More detailed information can be found in the project's wiki:

https://gitlab.com/QEF/q-e-gpu/wikis/home

Cheers,
Pietro Bonfà

-- 
Pietro Bonfà
Dipartimento di Scienze Matematiche, Fisiche e Informatiche
Parco Area delle Scienze, 7/A
43124 Parma