[Pw_forum] QE-GPU (installation)

[Filippo SPIGA]

On Dec 5, 2016, at 2:11 PM, Phanikumar Pentyala <phani12.chem at gmail.com> wrote:
> After change the compilation command:  ./configure --enable-parallel --enable-openmp --with-scalapack --enable-cuda --with-gpu-arch=sm_35 --with-cuda-dir=/usr/local/cuda-8.0/bin --without-magma --with-phigemm (now I changed with scalapack)

You have a single server with 2 K40 right? No point of using ScaLAPACK for only 2 MPI processes, please disable scaLAPACk and enable MAGMA.


> configure: error: Cannot compile against this version of Quantum ESPRESSO. Use v5.4

Weird, it shoudl work. I tested it multiple time a month ago in my system. I will look into this or this night or tomorrow and get back to you.

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