[Pw_forum] Using solvent on QE-GPU?

[Rolly Ng]

Dear Filippo,

Thanks for your attention. I will report my findings after.

Regards,
Rolly

-----Original Message-----
From: pw_forum-bounces at pwscf.org [mailto:pw_forum-bounces at pwscf.org] On
Behalf Of Filippo Spiga
Sent: 2015年12月1日 22:22
To: PWSCF Forum
Subject: Re: [Pw_forum] Using solvent on QE-GPU?

On Nov 30, 2015, at 11:29 AM, Oliviero Andreussi <oliviero.andreussi at usi.ch>
wrote:
> I am just waiting for the next official release of QE to come out (this
December, as far as I know).  

Correct.


> I am not sure Environ is fully compatible with the GPU plugin, as I have
not tested yet this combination.

Me neither. 

Rolly, to be safe I would assume ENVIRON and QE-GPU are not compatible but
feel free to try them together and validate results against a non-GPU
execution.

Regards

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga

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