A distributed data implementation of parallel full CI program

Zhengting Gan, Y. Alexeev, R. Kendall, M. Gordon
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Abstract

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.
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一个分布式数据实现的并行全CI程序
描述了一个分布式数据并行全CI程序,FCI算法的实现采用组合Cl驱动的方式组织,通过额外的计算可以避免冗余通信,并将集体通信转换为更高效的点对点通信。改进的DDI库进一步优化了网络性能。示例显示了在16节点PC集群上非常好的加速性能。还演示了该代码的应用。
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