[gmx-developers] PME on GPUs time line

Jochen Hub jhub at gwdg.de
Thu Jan 19 08:55:17 CET 2017

Hi developers,

I noticed that Aleksei has uploaded a whole bunch of commits for 
implenting PME for GPUs. Since we about to buy a new cluster, I was 
wondering if there is a rough time line when PME/CUDA code goes into 
master and realease branches. If PME runs smoothly on GPUs, the hardware 
with the best price/performance ratio obviously changes.

Also, are the commits in the branch "master (pme)" already suitable for 
some preliminary benchmarking?

Many thanks,

Dr. Jochen Hub
Computational Molecular Biophysics Group
Institute for Microbiology and Genetics
Georg-August-University of Göttingen
Justus-von-Liebig-Weg 11, 37077 Göttingen, Germany.
Phone: +49-551-39-14189

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