On the performance of molecular dynamics applications on current high-end systems
Focusing primarily on the
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| Veröffentlicht in: | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences physical, and engineering sciences, 2005-08, Vol.363 (1833), p.1987-1998 |
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| Format: | Artikel |
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| container_end_page | 1998 |
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| container_issue | 1833 |
| container_start_page | 1987 |
| container_title | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences |
| container_volume | 363 |
| creator | Hein, Joachim Reid, Fiona Smith, Lorna Bush, Ian Guest, Martyn Sherwood, Paul |
| description | Focusing primarily on the |
| doi_str_mv | 10.1098/rsta.2005.1624 |
| format | Article |
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of the present generation of parallel molecular dynamics code to make effective utilisation of these platforms and their components,
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| fulltext | fulltext |
| identifier | ISSN: 1364-503X |
| ispartof | Philosophical transactions of the Royal Society of London. Series A: Mathematical, physical, and engineering sciences, 2005-08, Vol.363 (1833), p.1987-1998 |
| issn | 1364-503X 1471-2962 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_68475686 |
| source | MEDLINE; JSTOR Mathematics & Statistics; Free Full-Text Journals in Chemistry |
| subjects | Algorithms Atoms Capability Computing Computer memory Computer Simulation Computer systems Dynamic range Fast Fourier transformations Forest management Fortran High Performance Computing Internet Models, Chemical Models, Molecular Molecular Dynamics Scalability Science Software Software Validation |
| title | On the performance of molecular dynamics applications on current high-end systems |
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