Parallel programming is a hot topic among scientists and engineers. The number of parallel machines available to them is constantly increasing. These powerful machines provide a new research platform for engineers and scientists. In order to exploit all their power, new programming techniques are needed. Fortunately, several parallel programming tools have appeared to make this complex programming endeavor much easier. We analyze paths to parallel programming from traditional scientific programming through parallelization of a molecular simulation application. We hope this paper encourages scientists and engineers at Cornell's Theory Center to take the step towards parallelization
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
The parallelization of molecular dynamics enables scientists to study macroscopic properties from la...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
This paper is concerned with the development of techniques for massively parallel computation at th...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
Our aim in this book is to present and enlarge upon those aspects of parallel computing that are nee...
Molecular dynamics simulation is a well-established technique for modeling complex many-particle sys...
AbstractThe demonstration that DNA molecules can act as parallel processors to solve hard problems h...
Major computational challenges have historically prevented molecular dynamics simulations of biomole...
A molecular-dynamics program typically takes several man-years to write and therefore is representat...
. We describe the results of a preliminary port of a large molecular dynamics (MD) code, gromos [15]...
The field of high-performance computing is developing at an extremely rapid pace. Massively parallel...
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
The parallelization of molecular dynamics enables scientists to study macroscopic properties from la...
This paper discusses the comprehensive performance profiling, improvement, and benchmarking of a Mol...
this article Download to Citation Manager Collections under which this unparallelizable to be perfor...
This paper is concerned with the development of techniques for massively parallel computation at th...
Parallel computer programs are used to speed up the calculation of computationally-demanding scienti...
Computational chemistry allows researchers to experiment in sillico: by running a computer simulatio...
Our aim in this book is to present and enlarge upon those aspects of parallel computing that are nee...
Molecular dynamics simulation is a well-established technique for modeling complex many-particle sys...
AbstractThe demonstration that DNA molecules can act as parallel processors to solve hard problems h...
Major computational challenges have historically prevented molecular dynamics simulations of biomole...
A molecular-dynamics program typically takes several man-years to write and therefore is representat...
. We describe the results of a preliminary port of a large molecular dynamics (MD) code, gromos [15]...
The field of high-performance computing is developing at an extremely rapid pace. Massively parallel...
Molecular simulation is an indispensable tool in many different disciplines such as physics, biology...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
The parallelization of molecular dynamics enables scientists to study macroscopic properties from la...