An MPI-based GROMACS implementation of the metadynamics of paths algorithm maintains greater than 70% weak-scaling parallel efficiency up to 3,500 GPUs on a 150,000-atom membrane protein benchmark.
More bang for your buck: Improved use of GPU nodes for GROMACS 2018,
1 Pith paper cite this work, alongside 424 external citations. Polarity classification is still indexing.
1
Pith paper citing it
424
external citations · OpenAlex
citation-role summary
background 1
citation-polarity summary
fields
physics.comp-ph 1years
2025 1verdicts
CONDITIONAL 1roles
background 1polarities
unclear 1representative citing papers
citing papers explorer
-
Extreme scaling of the metadynamics of paths algorithm on the pre-exascale JUWELS Booster supercomputer
An MPI-based GROMACS implementation of the metadynamics of paths algorithm maintains greater than 70% weak-scaling parallel efficiency up to 3,500 GPUs on a 150,000-atom membrane protein benchmark.