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A Distributed Data Implementation of Parallel Full CI Program
Chicago, Illinois September 23-September 26
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/CLUSTR.2002.1137786Fourth IEEE International Conference ...
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Zhengting Gan, Ames Laboratory
Yuri Alexeev, Ames Laboratory and Iowa State University
Ricky A. Kendall, Ames Laboratory and Iowa State University
Mark S. Gordon, Ames Laboratory and Iowa State University
A distributed data parallel full CI program is described. The implementation of the FCI algorithm is organized in a combined CI driven approach. With extra computation we were able to avoid redundant communication, and convert the collective communication into more efficient point-to-point communication. The network performance is further optimized by improved DDI library. Examples show very good speedup performance on 16 node PC clusters. The application of the code is also demonstrated.
Citation:
Zhengting Gan, Yuri Alexeev, Ricky A. Kendall, Mark S. Gordon, "A Distributed Data Implementation of Parallel Full CI Program," cluster, pp.476, Fourth IEEE International Conference on Cluster Computing (CLUSTER'02), 2002
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