General atomic and molecular electronic structure system
Journal of Computational Chemistry
Global arrays: a nonuniform memory access programming model for high-performance computers
The Journal of Supercomputing
Co-array Fortran for parallel programming
ACM SIGPLAN Fortran Forum
Titanium Language Reference Manual
Titanium Language Reference Manual
Representing linear algebra algorithms in code: the FLAME application program interfaces
ACM Transactions on Mathematical Software (TOMS)
X10: an object-oriented approach to non-uniform cluster computing
OOPSLA '05 Proceedings of the 20th annual ACM SIGPLAN conference on Object-oriented programming, systems, languages, and applications
UPC: Distributed Shared Memory Programming (Wiley Series on Parallel and Distributed Computing)
UPC: Distributed Shared Memory Programming (Wiley Series on Parallel and Distributed Computing)
Parallel Programmability and the Chapel Language
International Journal of High Performance Computing Applications
Proceedings of the 13th ACM SIGPLAN Symposium on Principles and practice of parallel programming
A view of the parallel computing landscape
Communications of the ACM - A View of Parallel Computing
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Important classes of problems in computational chemistry, notably coupled cluster methods, consist of solutions to complicated expressions defined in terms of tensors. Tensors are represented by multidimensional arrays that are typically extremely large, thus requiring distribution or in some cases backing on disk. We describe a parallel programming environment, the Super Instruction Architecture (SIA) comprising a domain specific programming language SIAL and its runtime system SIP that are specialized for this class of problems. A novel feature of the programming language is that SIAL programmers express algorithms in terms of operations on blocks rather than individual floating point numbers. Efficient implementations of the block operations as well as management of memory, communication, and I/O are provided by the runtime system. The system has been successfully used to develop ACES III, a software package for computational chemistry.