[Pw_forum] QE-GPU (installation)

[Filippo SPIGA]

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