[Pw_forum] [QE-GPU] compilation error

Filippo Spiga spiga.filippo at gmail.com
Fri Jun 26 11:34:13 CEST 2015

Dear Mohammed,

please next time use you institutional email address or, at least, do write from which institution you come from.

Try to use Intel MKL or ATLAS (that may require manual changes in the make.sys) or OpenBLAS (this may require as well manual changes in the make.sys). Once you are able to successfully run the configure and make using GNU + Intel MKL then enable GPU support.


On Jun 25, 2015, at 5:17 PM, mohammed shambakey <shambakey1 at gmail.com> wrote:
> Hi
> I'm trying to compile the gpu version. I'm using v5.1.2 for quantum_espresso and gpu version 14.10.0.
> As there is no patches for version 5.1.2, I didn't apply any patches.
> For configuration, I use:
> ./configure --enable-parallel --enable-openmp --with-scalapack --enable-cuda --with-gpu-arch=all --with-cuda-dir=$CUDA_PATH --without-magma --with-phigemm
> Configuration succeeded, but with warnings. Configuration output is attached as "compilation_err.log".
> For compilation, I use:
> make -f Makefile.gpu all-gpu
> but compilation fails with error:
> make[2]: *** No rule to make target `cublas'.  Stop.
> make[2]: Leaving directory `/home/q_esp/espresso-5.1.2/BLAS'
> make[1]: *** [libblas_internal] Error 2
> make[1]: Leaving directory `/home/q_esp/espresso-5.1.2/install'
> make: *** [libblas] Error 2
> Compilation output is attached as "compilation_err.log".
> Please help
> Regards
> -- 
> Mohammed
> <config_out.log><compilation_err.log>_______________________________________________
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Mr. Filippo SPIGA, M.Sc.
http://fspiga.github.io ~ skype: filippo.spiga

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

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