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Exploring Computational Chemistry On Emerging Architectures, David Dewayne Jenkins
Exploring Computational Chemistry On Emerging Architectures, David Dewayne Jenkins
Doctoral Dissertations
Emerging architectures, such as next generation microprocessors, graphics processing units, and Intel MIC cards, are being used with increased popularity in high performance computing. Each of these architectures has advantages over previous generations of architectures including performance, programmability, and power efficiency. With the ever-increasing performance of these architectures, scientific computing applications are able to attack larger, more complicated problems. However, since applications perform differently on each of the architectures, it is difficult to determine the best tool for the job. This dissertation makes the following contributions to computer engineering and computational science. First, this work implements the computational chemistry variational …
Gpu Implementation Of A Novel Approach To Cramer’S Algorithm For Solving Large Scale Linear Systems, Rosanne Lane West
Gpu Implementation Of A Novel Approach To Cramer’S Algorithm For Solving Large Scale Linear Systems, Rosanne Lane West
Masters Theses
Scientific computing often requires solving systems of linear equations. Most software pack- ages for solving large-scale linear systems use Gaussian elimination methods such as LU- decomposition. An alternative method, recently introduced by K. Habgood and I. Arel, involves an application of Cramer’s Rule and Chio’s condensation to achieve a better per- forming system for solving linear systems on parallel computing platforms. This thesis describes an implementation of this algorithm on an nVidia graphics processor card us- ing the CUDA language. Increased performance, relative to the serial implementation, is demonstrated, paving the way for future parallel realizations of the scheme.