(349b) HOOMD-Blue - Development of a Highly Scalable General Purpose Molecular Dynamics Code

I will present on the development of the latest release of HOOMD-blue, an open-source, high performance particle simulation framework. Its capabilities are motivated in part by large-scale computational research on block copolymers, and have resulted in a highly scalable molecular dynamics code. I will discuss strong- and weak scaling performance on over 3000 GPUs of the Titan supercomputer, as well as scalability using latest GPUDirect RDMA technology on an academic cluster.