[gmx-users] Help us steer future GROMACS development, with a chance to win a $2000+ Tesla C2075 GPU

Erik Lindahl erik at kth.se
Sat Mar 3 10:39:14 CET 2012

Hi everybody!

I have a small favor to ask that should hopefully help both us and you in the long run.

As some of you might know, we have been working quite closely with NVIDIA for a while to develop a better (and parallel) GPU version of GROMACS to significantly accelerate simulations. With the new Cray XK6 machines including NVIDIA GPUs, this is likely to become tremendously important for supercomputers in general too. An important part of this project has been the discussions about what type of simulations are most important to improve in the future. Is it single long trajectories? Performance for small systems? Parallelization for large systems? Extreme throughput? Statistical modeling?

Of course we have our own applications, but from the usage point-of-view we are just one user group out of many, and when NVIDIA asked us whether we would be interested in a survey we figured this would be a great way to actually determine what is most important for the entire community rather than just keep guessing. To tell the truth, we know very little about your specific needs, but this is your chance to change that and influence not only the next version, but the future 5-10 years of GROMACS development efforts, and specifically speed up _your_ type of simulations on all types of hardware.

We would be extremely grateful if you could spare 10 minutes of your time and participate in this GROMACS survey, and we would appreciate it if you encourage your colleagues and other GROMACS users to do the same. They don't need to be users of the GROMACS GPU code, just general users.


Thanks a lot for your help!

Mark Berger and his colleagues at NVIDIA have been exceptionally supportive, and since they are also interested in the results they have generously donated two fancy workstation-class C2075 Tesla GPUs. Everyone who completes the survey will be entered into a free drawing, where two winners will each receive one of these cards. I will announce the winners here in a few weeks after we close the survey. This could be a great way to kickstart your GPU simulation usage!

Nvidia sweepstake rules: http://www.nvidia.com/object/sweepstakes-official-rules.html

All the best,

Erik Lindahl & The GROMACS Development team

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