Parallelization of CPAIMD using Charm++ Parallel Programming Lab CPAIMD Collaboration with Glenn Martyna and Mark Tuckerman MPI code PINY Scalability problems ...
N atoms distributed across P processors. Must calculate forces between ... (Better algorithms exist, but we will focus on explicit calculation ... basic data ...
... UTK. 1. Adaptive MPI: Intelligent runtime strategies and performance prediction via ... technology of parallel objects and intelligent Runtime systems has led to ...