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A distributed data implementation of parallel full CI program

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4 Author(s)
Zhengting Gan ; Scalable Comput. Lab., Ames Lab. USDOE, IA, USA ; Y. Alexeev ; R. A. Kendall ; M. S. Gordon

A distributed data parallel full CI program is described The implementation of the FCI algorithm is organized in a combined Cl 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.

Published in:

Cluster Computing, 2002. Proceedings. 2002 IEEE International Conference on

Date of Conference: