[gmx-users] Try NVIDIA's GPU-Ready Applications Installation, Running, Benchmark "Recipe" for a quick on ramp to GROMACS on GPUs

Mark Berger mberger at nvidia.com
Mon Jul 24 21:53:27 CEST 2017

As everyone on this list knows, GROMACS is a versatile classical molecular dynamics application that simulates Newtonian equations of motion for systems with up to millions of particles. Now, you can take advantage of GPUs to get incredibly fast results when running your molecular dynamics simulations.

Visit the NVIDIA GROMACS page for installation information, system requirements, running models, benchmarks, and configurations:  https://www.nvidia.com/object/gromacs-b.html

GROMACS runs up to 3X faster on NVIDIA GPUs compared to CPU-only systems, so you can run simulations in days instead of weeks.


Mark Berger
Senior Alliance Manager,
Life & Material Sciences
(650) 208-5281

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