General atomic and molecular electronic structure system
Journal of Computational Chemistry
Enabling the Efficient Use of SMP Clusters: The GAMESS/DDI Model
Proceedings of the 2003 ACM/IEEE conference on Supercomputing
Solaris Internals (2nd Edition)
Solaris Internals (2nd Edition)
Dynamic Algorithm Selection in Parallel GAMESS Calculations
ICPPW '06 Proceedings of the 2006 International Conference Workshops on Parallel Processing
Computer Architecture, Fourth Edition: A Quantitative Approach
Computer Architecture, Fourth Edition: A Quantitative Approach
OpenMP on Multicore Architectures
IWOMP '07 Proceedings of the 3rd international workshop on OpenMP: A Practical Programming Model for the Multi-Core Era
Performance Implications of Cache Affinity on Multicore Processors
Euro-Par '08 Proceedings of the 14th international Euro-Par conference on Parallel Processing
VECPAR'02 Proceedings of the 5th international conference on High performance computing for computational science
Adapting distributed scientific applications to run-time network conditions
PARA'04 Proceedings of the 7th international conference on Applied Parallel Computing: state of the Art in Scientific Computing
Asynchronous invocation of adaptations in electronic structure calculations
Proceedings of the 19th High Performance Computing Symposia
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Multi-core processing environments have become the norm in the generic computing environment and are being considered for adding an extra dimension to the execution of any application. The T2 Niagara processor is a very unique environment where it consists of eight cores having a capability of running eight threads simultaneously in each of the cores. Applications like General Atomic and Molecular Electronic Structure (GAMESS), used for ab-initio molecular quantum chemistry calculations, can be good indicators of the performance of such machines and would be a guideline for both hardware designers and application programmers. In this paper we try to benchmark the GAMESS performance on a T2 Niagara processor for a couple of molecules. We also show the suitability of using a middleware based adaptation algorithm on GAMESS on such a multi-core environment.