Pure: Evolving Message Passing To Better Leverage Shared Memory Within Nodes

Pure is a new programming model and runtime system explicitly designed to take advantage of shared memory within nodes in the context of a mostly message passing interface enhanced with the ability to use tasks to make use of idle cores. Pure leverages shared memory in two ways: (a) by allowing cores to steal work from each other while waiting on messages to arrive, and, (b) by leveraging efficient lock-free data structures in shared memory to achieve high-performance messaging and collective operations between the ranks within nodes. We use microbenchmarks to evaluate Pure's key messaging and collective features and also show application speedups up to 2.1× on the CoMD molecular dynamics and the miniAMR adaptive mesh refinement applications scaling up to 4,096 cores.