November 2016
Intermediate to advanced
576 pages
18h 22m
English
John Stone
This chapter uses the electrostatic potential calculation in the VMD application to illustrate the practical use of loop transformations, thread granularity coarsening, and redundancy elimination techniques in a real application. It further shows some important details, interleaved data mapping and data structure padding, in achieving memory coalescing in a coarsened kernel.
Electrostatic potential energy; molecular dynamics; atomic operation; memory coalescing; thread coarsening