[Pw_forum] QE-GPU-5.0.2 (build1) is ready for download

[German Samolyuk]

Dear pwscf users and developers,

Is any information about GPU version available available?

Thank you,

German Samolyuk,
ORNL, USA


On Mon, Nov 26, 2012 at 2:01 PM, Filippo Spiga <spiga.filippo at gmail.com>wrote:

> Dear all,
>
> the QE-GPU-5.0.2 (build1) is ready for download. This version is fully
> compatible with QE 5.0.2 released few days ago.
>
> The QE-GPU package works like a plug-in for the standard Quantum ESPRESSO
> distribution. The procedure to follow to deploy it is very simple and it is
> also descrbed here: http://qe-forge.org/gf/project/q-e-gpu/
>
> Frst you need to download and install Quantum ESPRESSO 5.0.2. Then you
> have to download the file "QE-GPU-5.0.2-build1.tar.gz" and place it in the
> root/main directory of your QE installation (the same directory from which
> you usually run the configure). At this point, by untarring
> QE-GPU-5.0.2-build1.tar.gz, a directory called "GPU" will appear. Next
> steps are quite easy:
>
> $ cd GPU
> $ ./configure --enable-parallel --enable-openmp --enable-cuda
> --with-gpu-arch=<your-GPU-capability> --with-cuda-dir=<your-CUDA-path>
> --enable-phigemm --enable-magma
> $ cd ..
> $ make -f Makefile.gpu pw-gpu
>
> All the executables will appear under "bin/". By run "make -f
> Makefile.gpu" you will see what packages can exploit entirely or partially
> some GPU acceleration. Remember that PWscf (and so NEB) are the two code
> with the large amount of walltime ported to GPU. Here the link for the
> direct download:
> http://qe-forge.org/gf/project/q-e-gpu/frs/?action=FrsReleaseView&release_id=126
>
> For additional details please read the README.GPU file under the "GPU/"
> directory. For any feedback or problem please subscribe the q-e-gpu
> mailing-list (link: http://qe-forge.org/mailman/listinfo/q-e-gpgpu )
>
> Happy Computing.
> Filippo
>
>
> QE-GPU-5.0.2 ~ short Change-Log :
> - two "modes": normal and fast-cuda
> - revised GPU memory management
> - phiGEMM 2.0.0rc1
> - brand new MAGMA 1.3.0
> - better support for GPU with cc_30, cc_35 (TESLA K20, K20x, K10, GTX6xx)
> - improved configure and XK7 support
> - better GPU stream management
> - corrected weird bug in addusdens
> - batched FFT in serial execution temporary disabled (it will be restored
> in the next build)
>
> --
> Mr. Filippo SPIGA, M.Sc.
> http://filippospiga.me ~ skype: filippo.spiga
>
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>
>
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>
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