Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistr ....Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistry application package, and also with a major international computer company. Our aim is to substantially improve the performance of this code on cluster based compute systems. This, as well as our generic performance evaluation tools, would be of substantial benefit to the Australian research community. The project will forge links with researchers in Singapore, Japan and the USA.Read moreRead less
Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum che ....Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum chemistry. In particular an exciting new class of methods whose computational cost scales linearly with system size. Our goal is to develop scalable parallel implementations of these methods. If realized this will revolutionize computation, enabling first principles calculations on truly nanoscale systems, such as enzymes and molecular electronic devices.Read moreRead less
Dynamic Cooperative Performance Optimizations. This project seeks to improve the reliability, security, and
performance of modern software systems. Security is a problem of such
scale that outbreaks of computer viruses etc. headline in major
financial newspapers. We approach the problem by addressing the key
performance problems that hold back the programming languagues widely
used for secure and reliable systems. By improving the reliability,
security and performance of computer system ....Dynamic Cooperative Performance Optimizations. This project seeks to improve the reliability, security, and
performance of modern software systems. Security is a problem of such
scale that outbreaks of computer viruses etc. headline in major
financial newspapers. We approach the problem by addressing the key
performance problems that hold back the programming languagues widely
used for secure and reliable systems. By improving the reliability,
security and performance of computer systems, this project will help
alleviate the millions of hours and dollars lost to inadvertent errors
and malicious software attacks. The project will give Australia an
international presence in a research area of great academic and
commercial importance.Read moreRead less