AMBER Archive (2009)

Subject: [AMBER] Amber on GPU

From: Sasha Buzko (obuzko_at_ucla.edu)
Date: Mon Apr 06 2009 - 19:56:31 CDT

Dear Amber developers,

Considering the emerging interest in GPU-based computational
applications, what do you think about efforts to port MD code to GPU
hardware? Are there any inherent limitations? Considering that accuracy
should be a higher priority than speed, are there any serious issues
with GPUs?

Finally, if GPUs look like a reasonable platform to pursue, are there
any plans for adaptation of Amber code?
Since the advertised hardware acceleration sounds very tempting, it
would be interesting to know your opinion.

Thanks in advance

Sasha

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