NDLI: Overheads in Accelerating Molecular Dynamics Simulations with GPUs

Content Provider	IEEE Xplore Digital Library
Author	Narumi, T. Sakamaki, R. Kameoka, S. Yasuoka, K.
Copyright Year	2008
Description	Author affiliation: Dept. of Mech. Eng., Keio Univ., Yokohama (Narumi, T.; Sakamaki, R.; Kameoka, S.; Yasuoka, K.)
Abstract	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 NVIDIApsilas 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.
Starting Page	143
Ending Page	150
File Size	171574
Page Count	8
File Format	PDF
ISBN	9780769534435
DOI	10.1109/PDCAT.2008.68
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2008-12-01
Publisher Place	New Zealand
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Acceleration Computational modeling Hardware Computer simulation Costs Pipelines Games Particle accelerators Distributed computing Concurrent computing GRAPE molecular dynamics simulation graphics processing unit playstation 3 special-purpose computer
Content Type	Text
Resource Type	Article

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