DocumentCode
2720239
Title
A distributed data implementation of parallel full CI program
Author
Gan, Zhengting ; Alexeev, Yuri ; Kendall, Ricky A. ; Gordon, Mark S.
Author_Institution
Scalable Comput. Lab., Ames Lab. USDOE, IA, USA
fYear
2002
fDate
2002
Firstpage
476
Lastpage
479
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.
Keywords
Schrodinger equation; configuration interactions; eigenvalues and eigenfunctions; parallel programming; DDI library; Hamiltonian matrix; Schrodinger equation; distributed data parallel program; eigenvalue problem; full configuration interaction; network performance; Chemistry; Clustering algorithms; Computer science; Concurrent computing; Distributed computing; Eigenvalues and eigenfunctions; Laboratories; Libraries; Sparse matrices; USA Councils;
fLanguage
English
Publisher
ieee
Conference_Titel
Cluster Computing, 2002. Proceedings. 2002 IEEE International Conference on
Print_ISBN
0-7695-2066-9
Type
conf
DOI
10.1109/CLUSTR.2002.1137786
Filename
1137786
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