We report two aspects of a computational molecular dynamics study of large-scale problems on a distributed-memory MIMD parallel computer: (1) efficiency and scalability results on Intel Paragon parallel computers with up to 512 nodes and (2) a new method for dynamic load balancing
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
This paper describes the techniques and methodologies employed during parallelization of the Molecul...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
The iterative Multilevel Averaging Weight (MAW) algorithm presented in paper [1] is modified to solv...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
CHARMM (Chemistry at Harvard Macromolecular Mechanics) is a program that is widely used to model and...
The most widely used technique to allow for parallel simulations in molecular dynamics is spatial do...
The problem of load balancing for parallelized particle simulations implemented on MIMD machines is ...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
In heterogeneous distributed environments such as the Grid, the available resources, namely the netw...
.We describe the implementation of the cell multipole method CMM in a . .complete molecular dynamics...
Molecular dynamics (MD) is one of the popular applications in the research field of high performance...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
This paper describes the techniques and methodologies employed during parallelization of the Molecul...
AbstractWe report two aspects of a computational molecular dynamics study of large-scale problems on...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
The iterative Multilevel Averaging Weight (MAW) algorithm presented in paper [1] is modified to solv...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
CHARMM (Chemistry at Harvard Macromolecular Mechanics) is a program that is widely used to model and...
The most widely used technique to allow for parallel simulations in molecular dynamics is spatial do...
The problem of load balancing for parallelized particle simulations implemented on MIMD machines is ...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
In heterogeneous distributed environments such as the Grid, the available resources, namely the netw...
.We describe the implementation of the cell multipole method CMM in a . .complete molecular dynamics...
Molecular dynamics (MD) is one of the popular applications in the research field of high performance...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
We present an optimized parallelization scheme for molecular dynamics simulations of large biomolecu...
This paper describes the techniques and methodologies employed during parallelization of the Molecul...
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