[Pw_forum] New espresso-5.0.1-GPU (build2) available for download

[Filippo Spiga]

Dear QE users,

a new build of the GPU-accelerated Quantum ESPRESSO version 5.0.1 (build2) is available for download. This new build includes few improvements:
- update of all CUDA kernels in order to get 10%~15% more performance running new TESLA K10/K20 cards using CUDA 5
- phiGEMM 1.9.9
- MAGMA now compile and works on CRAY XK6 systems (using PGI + ACML 4.4.0)
- the recently introduced ELPA library, very useful for large parallel gamma point calculations (plus, by manually adding "-D__ELPA_PHIGEMM" to DFLAGS in the make.sys, it is possible to couple ELPA and phiGEMM)

PWscf and NEB are the two code accelerated. The package is available here:
http://qe-forge.org/gf/project/q-e/frs/?action=FrsReleaseView&release_id=119

Details are reported in the README.GPU file. Please send comments, feedbacks and bugs directly to q-e-gpgpu at qe-forge.org

Happy computing!

Filippo

--
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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