Allocating Independent Subtasks on Parallel Processors
IEEE Transactions on Software Engineering
Fast parallel algorithms for short-range molecular dynamics
Journal of Computational Physics
OSDI '96 Proceedings of the second USENIX symposium on Operating systems design and implementation
Global arrays: a nonuniform memory access programming model for high-performance computers
The Journal of Supercomputing
Efficient management of parallelism in object-oriented numerical software libraries
Modern software tools for scientific computing
Location Consistency-A New Memory Model and Cache Consistency Protocol
IEEE Transactions on Computers
A case study in the performance and scalability of optimization algorithms
ACM Transactions on Mathematical Software (TOMS)
Optimization Software Guide
Asynchronous Parallel Pattern Search for Nonlinear Optimization
SIAM Journal on Scientific Computing
Newton's Method for Large Bound-Constrained Optimization Problems
SIAM Journal on Optimization
Global arrays: a portable "shared-memory" programming model for distributed memory computers
Proceedings of the 1994 ACM/IEEE conference on Supercomputing
IPPS '97 Proceedings of the 11th International Symposium on Parallel Processing
Proceedings of the 11 IPPS/SPDP'99 Workshops Held in Conjunction with the 13th International Parallel Processing Symposium and 10th Symposium on Parallel and Distributed Processing
Dynamically Controlling False Sharing in Distributed Shared Memory
HPDC '96 Proceedings of the 5th IEEE International Symposium on High Performance Distributed Computing
Toward a Common Component Architecture for High-Performance Scientific Computing
HPDC '99 Proceedings of the 8th IEEE International Symposium on High Performance Distributed Computing
IPDPS '05 Proceedings of the 19th IEEE International Parallel and Distributed Processing Symposium (IPDPS'05) - Workshop 4 - Volume 05
Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit
International Journal of High Performance Computing Applications
Integrated Data and Task Management for Scientific Applications
ICCS '08 Proceedings of the 8th international conference on Computational Science, Part I
Time-variation nonlinear system identification based on Bayesian-Gaussian neural network
ICNC'09 Proceedings of the 5th international conference on Natural computation
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Challenges in the scalable solution of large-scale optimization problems include the development of innovative algorithms and efficient tools for parallel data manipulation. This article discusses two complementary toolkits from the collection of Advanced CompuTational Software (ACTS), namely, Global Arrays (GA) for parallel data management and the Toolkit for Advanced Optimization (TAO), which have been integrated to support large-scale scientific applications of unconstrained and bound constrained minimization problems. Most likely to benefit are minimization problems arising in classical molecular dynamics, free energy simulations, and other applications where the coupling among variables requires dense data structures. TAO uses abstractions for vectors and matrices so that its optimization algorithms can easily interface to distributed data management and linear algebra capabilities implemented in the GA library. The GA/TAO interfaces are available both in the traditional library mode and as components compliant with the Common Component Architecture (CCA). We highlight the design of each toolkit, describe the interfaces between them, and demonstrate their use.