O'Reilly logo

Shared Memory Application Programming by Victor Alessandrini

Stay ahead with the world's most comprehensive technology and business learning platform.

With Safari, you learn the way you learn best. Get unlimited access to videos, live online training, learning paths, books, tutorials, and more.

Start Free Trial

No credit card required

Chapter 13

Molecular Dynamics Example

Abstract

The parallel computation of the trajectories of a set of interacting particles moving on a line is examined in detail. The particles interact through long-range, restoring forces. The parallel algorithm is simple, but it shows substantial demand on barrier synchronizations. This example is therefore a good testing ground for studying the efficiency of synchronization tools. After discussing in detail the general structure of the code, several versions are proposed, based on the different environments discussed in the book: OpenMP, TBB, and vath pools. Their performance is tested, and performance bottlenecks are identified. A rather detailed discussion is developed on the use and impact of vectorization—as ...

With Safari, you learn the way you learn best. Get unlimited access to videos, live online training, learning paths, books, interactive tutorials, and more.

Start Free Trial

No credit card required