[Pw_forum] Problem with espresso and cuda 6.0

Filippo Spiga spiga.filippo at gmail.com
Tue Jul 8 11:42:54 CEST 2014

Dear Fabricio,

On Jul 8, 2014, at 12:04 AM, Fabricio Cannini <fcannini at gmail.com> wrote:
> I'm using 14.06 version of qe-gpu from here [ 
> https://github.com/fspiga/QE-GPU/ ] . Strangely, it has no 
> 'espresso-5.1' directory nor 'espresso-5.0_GPU-14.06.patch' . Is it ok ?

About espresso 5.0.2 I am afraid it requires a dedicated patch not available yet. If you want it I can generate it and make it available. However if you can move to espresso-5.1 then please do so.

> I've tried with espressp 5.1 too, but all patches fail at 
> 'Modules/mp.f90' , 'PW/src/pwscf.f90' and 'PW/src/vloc_psi.f90' .

14.06 does not require patch for espresso-5.1. Have you tried without any patch? It should work.

> I've followed the instructions from the link above, but compilation 
> fails. Here's the configure options:
> ===============================================================
> ./configure --enable-openmp --with-cuda-dir=/usr/local/cuda-6.0 
> --without-magma --disable-parallel
> ================================================================

Is nvcc in PATH? It seems it is not able to locate nvcc compiler.

I also suggest to add "--enable-cuda" and "--with-gpu-arch=<...>"


Mr. Filippo SPIGA, M.Sc.
http://www.linkedin.com/in/filippospiga ~ skype: filippo.spiga

«Nobody will drive us out of Cantor's paradise.» ~ David Hilbert

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