Re: [AMBER] Amber 11 single and multiple GPU question

From: Scott Le Grand <>
Date: Mon, 8 Nov 2010 15:52:44 -0800

The entire calculation runs on the gpu.

Communication limits scaling efficiency to 50-75% and while the shipping code does not scale past 8 GPUs, development code scales out to 16. Which is to say that scaling efficiency is improving daily.

-----Original Message-----
From: "Frank X. Vázquez" []
Sent: Monday, November 08, 2010 3:17 PM
Subject: [AMBER] Amber 11 single and multiple GPU question

Hello Amber users,

I wanted to to know some details about serial and parallel GPU simulations on AMBER 11. Does the entire calculation occur on the GPU or is part of the calculation occurring on the CPUs? Does the parallel GPU simulation involve communication between multiple GPUs, and does this have a major effect on how well the simulation runs? I was also wondering whether there were any published benchmarks using multiple GPUs.

Thank you for your response,
Frank X. Vázquez

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