this article Download to Citation Manager Collections under which this unparallelizable to be performed on hundreds or thousands of computers with very little communication between the processors. Even if an algorithm can be parallelized, it may still be poorly suited for distributed computing. Consider, for example, simulations of the dynamics of biomolecules at the atomic level. Such simulations are traditionally limited to the nanosecond time scale. Duan and Kollman have demonstrated that traditional parallel molecular dynamics simulations can break the microsecond barrier (3), provided that one uses many tightly connected processors running on an expensive supercomputer for many months. This style of calculation requires, however, that ...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Many computations in biomedical research such as simulations, bootstrapping, database searches (such...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
Parallel programming is a hot topic among scientists and engineers. The number of parallel machines ...
The parallelization of molecular dynamics enables scientists to study macroscopic properties from la...
International audienceThis article outlines the recent developments in the field of large-scale para...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Abstract—Special-purpose computing hardware can provide significantly better performance and power e...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Many computations in biomedical research such as simulations, bootstrapping, database searches (such...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
Parallel programming is a hot topic among scientists and engineers. The number of parallel machines ...
The parallelization of molecular dynamics enables scientists to study macroscopic properties from la...
International audienceThis article outlines the recent developments in the field of large-scale para...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
Molecular mechanics and dynamics are becoming widely used to perform simulations of molecular system...
© 2013 American Physical SocietyThis article introduces a highly parallel algorithm for molecular dy...
Abstract—Special-purpose computing hardware can provide significantly better performance and power e...
Molecular dynamics (MD) is a powerful computer simulation technique providing atomistic resolution a...
Molecular dynamics simulations require supercomputers. A specific class of supercomputers is that of...
We report the design and performance of a computational molecular dynamics (MD) code for 400 million...