CoMD is a classical molecular dynamics proxy application. NVIDIA reworked the original implementation moving from a CPU implementation to an hybrid CPU-GPU solution. In this repository, starting from the NVIDIA solution, we leverage the communications with GPUDirect Async, recently released by NVIDIA.
For further information about Async and benchmarks, please refer to:
- "GPUDirect Async: exploring GPU synchronous communication techniques for InfiniBand clusters", E. Agostini, D. Rossetti, S. Potluri. Journal of Parallel and Distributed Computing, Vol. 114, Pages 28-45, April 2018
- "Offloading communication control logic in GPU accelerated applications", E. Agostini, D. Rossetti, S. Potluri. Proceedings of the 17th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid’ 17), IEEE Conference Publications, Pages 248-257, Nov 2016