[Pw_forum] QE-GPU problems.

[Filippo SPIGA]

On Dec 30, 2016, at 3:48 AM, Oliver Generalao <oliver.b.generalao at gmail.com> wrote:
> The only catch, which Mr Spiga always points out, is that the DP performance on GTX cards  is very slow , which is like 1/32 (or 1/24) of the Single Precision

So GTX 1070 is not worth using. A little bit of tuning of your input, better compile flags and the CPU will perform the same or faster than the CPU+GPU.

Because you have a GTX 1070 it does mean you must use it. If you buy a GPU only for QE, do not buy that model. Very simple.

--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org