Loading...
Please wait, while we are loading the content...
Similar Documents
Application of a high performance parallel eigensolver to electronic structure calculations (0).
| Content Provider | CiteSeerX |
|---|---|
| Author | Sears, Mark P. Stanley, Ken Berkeley, U. C. Henry, Greg |
| Abstract | In this paper we report the development of a very high performance parallel eigensolver based on the portable ScaLAPACK library, and its application to electronic structure calculations in the MP-Quest code. This work was done on ASCI-Red, a supercomputer based on over 4600 dual-processor Pentium Pro 1 nodes at Sandia National Laboratories. We report sustained performance in the code of 605GFlops and peak performance in the eigensolver of 684GFlops. This is comparable to performance obtained from MP-Linpack on a similar sized problem. For a smaller problem we have sustained performance of 420GFlops in the application and peak performance in the eigensolver of 563GFlops. Impact of this work on the specific application is important, but the development of significant improvements to a portable eigensolver and other libraries will also benefit a number of applications. 1 Introduction MP-Quest is a parallel electronic structure program which is used extensively in productio... |
| File Format | |
| Access Restriction | Open |
| Subject Keyword | Electronic Structure Calculation High Performance Parallel Eigensolver Peak Performance Significant Improvement Parallel Electronic Structure Program Introduction Mp-quest Mp-quest Code High Performance Parallel Dual-processor Pentium Pro Specific Application Sandia National Laboratory Portable Scalapack Library Portable Eigensolver |
| Content Type | Text |
| Resource Type | Article |
