Showing items from GROMACS

Interesting GPU & CPU performance results from GROMACS

Carsten Kutzner is a researcher and scientific software developer at the Max Planck Institute for Biophysical Chemistry in Göttingen in Germany. He’s been doing some really diverse benchmarking studies in collaboration with our HPC …

'Making stuff run fast', starting with GROMACS.

We just published a blog post last week with a deep dive into what makes GROMACS tick. The blog post talked about software stacks and EC2 instances that will deliver the best possible performance for people trying to do some molecular …