(349b) HOOMD-Blue - Development of a Highly Scalable General Purpose Molecular Dynamics Code
AIChE Annual Meeting
2014 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Software Engineering in and for the Molecular Sciences I
Tuesday, November 18, 2014 - 12:55pm to 1:20pm
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.