General atomic and molecular electronic structure system
Journal of Computational Chemistry
Component software: beyond object-oriented programming
Component software: beyond object-oriented programming
ACM Transactions on Mathematical Software (TOMS) - Special issue in honor of John Rice's 65th birthday
High-level adaptive program optimization with ADAPT
PPoPP '01 Proceedings of the eighth ACM SIGPLAN symposium on Principles and practices of parallel programming
Active harmony: towards automated performance tuning
Proceedings of the 2002 ACM/IEEE conference on Supercomputing
Asserting performance expectations
Proceedings of the 2002 ACM/IEEE conference on Supercomputing
Prophesy: an infrastructure for performance analysis and modeling of parallel and grid applications
ACM SIGMETRICS Performance Evaluation Review
SvPablo: A Multi-Language Architecture-Independent Performance Analysis System
ICPP '99 Proceedings of the 1999 International Conference on Parallel Processing
An Algebra for Cross-Experiment Performance Analysis
ICPP '04 Proceedings of the 2004 International Conference on Parallel Processing
Minimizing development and maintenance costs in supporting persistently optimized BLAS
Software—Practice & Experience - Research Articles
Performance technology for parallel and distributed component software: Research Articles
Concurrency and Computation: Practice & Experience - Grid Performance
Design and Implementation of a Parallel Performance Data Management Framework
ICPP '05 Proceedings of the 2005 International Conference on Parallel Processing
Statistical Models for Empirical Search-Based Performance Tuning
International Journal of High Performance Computing Applications
The Tau Parallel Performance System
International Journal of High Performance Computing Applications
A Component Architecture for High-Performance Scientific Computing
International Journal of High Performance Computing Applications
Data Mining: Practical Machine Learning Tools and Techniques, Second Edition (Morgan Kaufmann Series in Data Management Systems)
Tackling component interoperability in quantum chemistry software
Proceedings of the 2007 symposium on Component and framework technology in high-performance and scientific computing
Enabling self-management of component-based high-performance scientific applications
HPDC '05 Proceedings of the High Performance Distributed Computing, 2005. HPDC-14. Proceedings. 14th IEEE International Symposium
The Palladio component model for model-driven performance prediction
Journal of Systems and Software
Performance modeling for dynamic algorithm selection
ICCS'03 Proceedings of the 2003 international conference on Computational science
Asynchronous invocation of adaptations in electronic structure calculations
Proceedings of the 19th High Performance Computing Symposia
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Component interfaces, as advanced by the Common Component Architecture (CCA), enable easy access to complex software packages for high-performance scientific computing. A recent focus has been incorporating support for computational quality of service (CQoS), or the automatic composition, substitution, and dynamic reconfiguration of component applications. Several leading quantum chemistry packages have achieved interoperability by adopting CCA components. Running these computations on diverse computing platforms requires selection among many algorithmic and hardware configuration parameters; typical educated guesses or trial and error can result in unexpectedly low performance. Motivated by the need for faster runtimes and increased productivity for chemists, we present a flexible CQoS approach for quantum chemistry that uses a generic CQoS database component to create a training database with timing results and metadata for a range of calculations. The database then interacts with a chemistry CQoS component and other infrastructure to facilitate adaptive application composition for new calculations.