Originally published at: https://developer.nvidia.com/blog/massively-improved-multi-node-nvidia-gpu-scalability-with-gromacs/
GROMACS, a scientific software package widely used for simulating biomolecular systems, plays a crucial role in comprehending important biological processes important for disease prevention and treatment. GROMACS can use multiple GPUs in parallel to run each simulation as quickly as possible. Over the past several years, NVIDIA and the core GROMACS developers have collaborated on…