Samsara parallel: a non-BSP parallel-in-time model

Abstract

Many time-dependent problems like molecular dynamics of protein folding require a large number of time steps. The latencies and overheads of common-purpose clusters with accelerators are too big for high-frequency iteration. We introduce an algorithmic model called Samsara Parallel (or SP) which, unlike BSP, relies on asynchronous communications and can repeatedly return to earlier time steps to refine the precision of computation. This also extends a line of research called Parallel-in-Time in computational chemistry and physics.