[Pw_forum] Problem with espresso and cuda 6.0

Fabricio Cannini fcannini at gmail.com
Tue Jul 8 01:04:53 CEST 2014

Hi there

I'm having trouble compiling espresso 5.0.2 with cuda 6.0 on a Centos 
6.5 x86_64 machine. ( gcc 4.4.x )

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 ?

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' .

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

Compilation fails with this error:

Notice the lines with "I../../include" but no dash in the "I"

Is it a bug in the './configure' script ?


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