[Pw_forum] QE-GPU (installation)

Filippo SPIGA filippo.spiga at quantum-espresso.org
Mon Dec 5 09:55:10 CET 2016

Dear Phanikumar,

upgrade to QE v5.4 and upgrade to the latest QE-GPU from GIT (https://github.com/fspiga/QE-GPU/archive/5.4.tar.gz). I've just create a tag to simplify checkout operations).

Moreover you want to use MAGMA if you do not use ScaLAPACK. if you disable both, most likely you will run single core LAPACK and there will be no gain there in having GPU.

On Dec 5, 2016, at 5:57 AM, Phanikumar Pentyala <phani12.chem at gmail.com> wrote:
> I am trying to install QE-GPU-14.10.0 in my server (details below). while configuration it's not generating files and showing some error (config.status: error: cannot find input file: ../include/fft_defs.h.in). I am new to linux OS, please help me for successful installation of GPU version.
> Command I used for configuration: ./configure --enable-parallel --enable-openmp --enable-cuda --without-scalapack --with-gpu-arch=sm_35 --with-cuda-dir=/usr/local/cuda-7.5/bin --without-magma --with-phigemm

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

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