Re: Improve performance

From: Vermaas, Josh (
Date: Thu Jan 28 2021 - 18:45:52 CST

For the best NAMD performance on a GPU, use NAMD 3. This blog from NVIDIA has been my goto for explaining the differences to folks that haven’t used NAMD 3 yet.;!!DZ3fjg!vErMA_5hejJ5-oln1IxckaY1cpcxTvRb3IU8etFNVACiJupnxLudR08VJT6z6BnRcw$


From: <> on behalf of "Ropon-Palacios G." <>
Reply-To: "" <>, "Ropon-Palacios G." <>
Date: Thursday, January 28, 2021 at 7:18 PM
To: "" <>
Subject: namd-l: Improve performance

Dear namd users,

How can i improve namd2.14 performance on GPU?

I`m using namd2.14 for run membrane protein simulation, but namd only use nor more the 50% of GPU, as can I make to improve this performance.

For other hand, if during equilibration of protein-membrane is necessary keep water out membrane?




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