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JCC
2007
151views more  JCC 2007»
15 years 4 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
ISSRE
2010
IEEE
15 years 2 months ago
Pinpointing the Subsystems Responsible for the Performance Deviations in a Load Test
—Large scale systems (LSS) contain multiple subsystems that interact across multiple nodes in sometimes unforeseen and complicated ways. As a result, pinpointing the subsystems t...
Haroon Malik, Bram Adams, Ahmed E. Hassan
IPPS
2005
IEEE
15 years 10 months ago
BioFilter: An Architecture for Parallel Deployment and Dynamic Chaining of Standalone Bioinformatics Tools
A large number of bioinformatics analysis tools available today are processor intensive. Keeping in mind that the amount of biological data to be analyzed is growing steadily, and...
Thomas S. Brettin, Avinash Kewalramani
IPPS
2007
IEEE
15 years 10 months ago
Towards A Better Understanding of Workload Dynamics on Data-Intensive Clusters and Grids
This paper presents a comprehensive statistical analysis of workloads collected on data-intensive clusters and Grids. The analysis is conducted at different levels, including Virt...
Hui Li, Lex Wolters
CAIP
1999
Springer
138views Image Analysis» more  CAIP 1999»
15 years 8 months ago
Procrustes Alignment with the EM Algorithm
This paper casts the problem of point-set alignment via Procrustes analysis into a maximum likelihood framework using the EM algorithm. The aim is to improve the robustness of the...
Bin Luo, Edwin R. Hancock