Re: [AMBER] error in amber installation

From: Jason Swails <>
Date: Mon, 4 May 2015 14:03:05 -0400

On Mon, May 4, 2015 at 1:51 PM, Atila Petrosian <>

> Dear Jason
> Thanks for your answer.
> Is pmemd related to GPU, only?

​pmemd runs on CPUs, too. But pmemd on the GPU is *much* faster than pmemd
on CPUs for most GPUs (see​
​ for detailed timings).​

If I install ambertools on cpu, can I install pmemd? or not?

If you want pmemd from Amber 11, it can run on CPUs, but not GPUs. But
pmemd from Amber 11 can be a challenge to compile.


Jason M. Swails
Rutgers University
Postdoctoral Researcher
AMBER mailing list
Received on Mon May 04 2015 - 11:30:09 PDT
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