Overheads in accelerating molecular dynamics simulations with GPUs

Tetsu Narumi, Ryuji Sakamaki, Shun Kameoka, Kenji Yasuoka

研究成果: Conference contribution

6 被引用数 (Scopus)

抄録

Molecular Dynamics (MD) simulation requires huge computational power, as each atom interacts with the others by long range forces such as the Coulomb or van der Waals forces. Recently, a video game computer, such as SONY PLAYSTATION 3 (PS3) or NVIDIA's Graphics Processing Unit (GPU) has become a candidate hardware for accelerating MD simulations as well as an MDGRAPE-3 special-purpose computer for their better performance than current CPU of the PC, and also for their cost-effectiveness. Especially the latest GPU has much more peak performance than a CPU of the PC or an MDGRAPE-3, though a GPU has much more overheads in accelerating MD simulations. When the number of particles is small or the calculation kernel becomes complicated, the performance of the GPU drops dramatically as low as that of the MDGRAPE-3. However, the acceleration ratio of the GPU and the PS3 per cost exceeds that of the MDGRAPE-3.

本文言語English
ホスト出版物のタイトルProceedings - 9th International Conference on Parallel and Distributed Computing, Applications and Technologies, PDCAT 2008
ページ143-150
ページ数8
DOI
出版ステータスPublished - 2008
イベント9th International Conference on Parallel and Distributed Computing, Applications and Technologies, PDCAT 2008 - Dunedin, Otago, New Zealand
継続期間: 2008 12月 12008 12月 4

出版物シリーズ

名前Parallel and Distributed Computing, Applications and Technologies, PDCAT Proceedings

Other

Other9th International Conference on Parallel and Distributed Computing, Applications and Technologies, PDCAT 2008
国/地域New Zealand
CityDunedin, Otago
Period08/12/108/12/4

ASJC Scopus subject areas

  • ソフトウェア
  • 理論的コンピュータサイエンス
  • ハードウェアとアーキテクチャ
  • コンピュータ サイエンスの応用

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