Mark Ponton

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ACES III is a newly written program in which the computationally demanding components of the computational chemistry code ACES II [J. F. Stanton et al., Int. J. Quantum Chem. 526, 879 (1992); [ACES II program system, University of Florida, 1994] have been redesigned and implemented in parallel. The high-level algorithms include Hartree-Fock (HF)(More)
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(More)
The Super Instruction Architecture (SIA) was developed to support parallel implementation of algorithms for electronic structure computational chemistry calculations. The methods are programmed in a domain specific programming language called Super Instruction Assembly Language (SIAL). An important novel aspect of SIAL is that algorithms are expressed in(More)
We describe a project to provide refactoring support for the SIAL programming language. SIAL is a domain specific parallel programing language designed to express quantum chemistry computations. It incorporates language support for the loop parallelism and distributed array parallel design patterns. In contrast to refactorings typically undertaken for(More)
A design pattern is considered in which a distributed memory, multi processor computer is viewed as an early generation processor. In such processors, each instruction operates on individual floating point numbers and consumes a variable yet significant number of cycles. In the design pattern, we consider the elementary data item for a modern parallel(More)
The authors report 2 clinical cases that illustrate the difficulties with video-monitored EEG and the advantages of brain SPECT in differential diagnosis of true epileptic seizures and nonepileptic seizures. Injection of [99mTc]HMPAO at the time of the ictal event provides a means to obtain a SPECT image postictally for comparison with interictal(More)
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