Brent A. Gregersen

dblp:70/1397 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 2006
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Systems, architecture and hardware · 1

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Computer architecture, parallel and distributed computing, and storage systems
1 paper
High-performance computing · 67% Parallel and multicore computing · 33%

Topics — the 6 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
High-performance computing › scientific computing systems
molecular dynamics simulation
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006
Parallel and multicore computing › parallelization strategies
parallel decomposition
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006
Parallel and multicore computing
parallel programming models and runtimes
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006
High-performance computing › performance optimization at scale
parallel scalability
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006
High-performance computing
performance optimization at scale
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006
High-performance computing
scientific computing systems
0.112006
Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters · SC 2006

Methods — techniques the papers use, named apart from their topics

vector instructions · 0.1single-precision computation · 0.1message passing · 0.1
YearPublicationVenuePosition
2006 Molecular dynamics - Scalable algorithms for molecular dynamics simulations on commodity clusters
abstract
Although molecular dynamics (MD) simulations of biomolecular systems often run for days to months, many events of great scientific interest and pharmaceutical relevance occur on long time scales that remain beyond reach. We present several new algorithms and implementation techniques that significantly accelerate parallel MD simulations compared with current state-of-the-art codes. These include a novel parallel decomposition method and message-passing techniques that reduce communication requirements, as well as novel communication primitives that further reduce communication time. We have also developed numerical techniques that maintain high accuracy while using single precision computation in order to exploit processor-level vector instructions. These methods are embodied in a newly developed MD code called Desmond that achieves unprecedented simulation throughput and parallel scalability on commodity clusters. Our results suggest that Desmond's parallel performance substantially surpasses that of any previously described code. For example, on a standard benchmark, Desmond's performance on a conventional Opteron cluster with 2K processors slightly exceeded the reported performance of IBM's Blue Gene/L machine with 32K processors running its Blue Matter MD code.
Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, István Kolossváry, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, David E. Shaw
SC6