A bit of the work that was being done to tune AMBER for GPUs in collaboration with NVIDIA http://www.wmd-lab.org/, I head the performance is phenomenal even on a regular desktop machine. Perhaps we can draw some ideas and apply in IMP? There are now also designated GPU servers available from NVIDIA.
I can confirm that. I get a 4-16x speedup on a single tesla card. Unfortunately parallelization across multiple gpus is very bad. For that, namd is still the best option.
Dina started to do something cuda-related for saxs.
On 7 janv. 2014, at 21:57, Barak Raveh barak.raveh@gmail.com wrote:
> A bit of the work that was being done to tune AMBER for GPUs in collaboration with NVIDIA http://www.wmd-lab.org/, I head the performance is phenomenal even on a regular desktop machine. Perhaps we can draw some ideas and apply in IMP? There are now also designated GPU servers available from NVIDIA. > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev
We have a branch that adds cuda compilation support to the build system so you can drop in .cu files. Dina and I got distracted from the gnu work shortly after writing that though.
On Tue, Jan 7, 2014 at 1:02 PM, Yannick Spill yannick@salilab.org wrote:
> I can confirm that. I get a 4-16x speedup on a single tesla card. > Unfortunately parallelization across multiple gpus is very bad. For that, > namd is still the best option. > > Dina started to do something cuda-related for saxs. > > On 7 janv. 2014, at 21:57, Barak Raveh barak.raveh@gmail.com wrote: > > A bit of the work that was being done to tune AMBER for GPUs in > collaboration with NVIDIA http://www.wmd-lab.org/, I head the performance > is phenomenal even on a regular desktop machine. Perhaps we can draw some > ideas and apply in IMP? There are now also designated GPU servers available > from NVIDIA. > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev > > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev > >
participants (3)
-
Barak Raveh -
Daniel Russel -
Yannick Spill