[Pw_forum] QE-GPU (installation)

[Phanikumar Pentyala]

Finally I installed software and libraries you suggested (*openmpi, FFTW,
Intel® math kernel library (MKL) library*)

>From my server architecture and GPU configuration, what you suggest the
best choice for algebra libraries



*ScaLAPACK or MAGMA?*
Thanks in advance


Regards
Phanikumar



On Tue, Dec 6, 2016 at 2:38 PM, Filippo SPIGA <
filippo.spiga at quantum-espresso.org> wrote:

> On Dec 6, 2016, at 4:50 AM, Phanikumar Pentyala <phani12.chem at gmail.com>
> wrote:
> > Initially I written my GPU was Tesla K40, but it is not. Actual series
> name was NVIDIA Tesla K40m. Sorry for that, that was my mistake
>
> Not a difference between the two apart the cooling.
>
>
> > If I try compilation with QE-5.3.0, It was different error
> (config.status: error: cannot find input file: ../include/fft_defs.h.in)
>
> 5.4, not 5.3. Not worth looking at 5.3 with the latest version
>
>
> > Intel® math kernel library (MKL)
>
> Yes, download them for free
>
>
> > Intel® Message Passing Interface (MPI) library installation required or
> not?
>
> No, download Open MPi or install it via apt-get/yum/whatever on the system
>
> Moreover make sure you have any fort of FFTW installed in the system as
> well.
>
>
> --
> Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.
> org
>
>
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