ChemIo: High Performance Parallel I/o for Computational Chemistry Applications
| Autor: | Rick A. Kendall, Ian Foster, Jarek Nieplocha |
|---|---|
| Rok vydání: | 1998 |
| Předmět: |
020203 distributed computing
Computer science Computation Interface (computing) 010103 numerical & computational mathematics 02 engineering and technology 01 natural sciences Parallel I/O Execution time Theoretical Computer Science Computational science Hardware and Architecture Computational chemistry Scalability 0202 electrical engineering electronic engineering information engineering 0101 mathematics Implementation Software |
| Zdroj: | The International Journal of High Performance Computing Applications. 12:345-363 |
| ISSN: | 1741-2846 1094-3420 |
| Popis: | Recent developments in I/O systems on scalable parallel computers have sparked renewed interest in out-of-core methods for computational chemistry. These methods can improve execution time significantly relative to direct methods, which perform many redundant computations. However, the widespread use of such out-of-core methods requires efficient and portable implementations of often complex I/O patterns. The ChemlO project has addressed this problem by defining an I/O interface that captures the I/O patterns found in important computational chemistry applications and by providing high performance imple mentations of this interface on multiple platforms. This development broadens the user community for parallel I/O techniques and provides new insights into the functionality required in general purpose scalable I/O libraries and the techniques required to achieve high performance I/O on scalable parallel computers. |
| Databáze: | OpenAIRE |
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