GROMACS
Oct 16, 2024
Maximizing Energy and Power Efficiency in Applications with NVIDIA GPUs
As the demand for high-performance computing (HPC) and AI applications grows, so does the importance of energy efficiency. NVIDIA Principal Developer Technology...
2 MIN READ
Apr 14, 2023
A Guide to CUDA Graphs in GROMACS 2023
GPUs continue to get faster with each new generation, and it is often the case that each activity on the GPU (such as a kernel or memory copy) completes very...
13 MIN READ
Feb 09, 2023
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...
8 MIN READ
Oct 08, 2021
Maximizing GROMACS Throughput with Multiple Simulations per GPU Using MPS and MIG
GROMACS, a simulation package for biomolecular systems, is one of the most highly used scientific software applications worldwide, and a key tool in...
19 MIN READ
Feb 25, 2020
Creating Faster Molecular Dynamics Simulations with GROMACS 2020
GROMACS—one of the most widely used HPC applications— has received a major upgrade with the release of GROMACS 2020. The new version includes exciting new...
13 MIN READ