Re: Run NAMD without GPU

From: Josh Vermaas (
Date: Sun Apr 26 2020 - 07:29:45 CDT


Yes, you can run NAMD on only CPUs. If that is the only hardware
available to you, that's fine. You'll want to read up on how to install
NAMD with MPI as the communication backend, as that is the one that
tends to be most performant in my experience on commodity linux
clusters. The performance on a per-node basis is going to be worse. I
mathed out once that I could do a calculation over 20 GPU nodes or 180
CPU nodes to get the same performance.


On 4/26/20 5:33 AM, L- wrote:
> Dear
> can i run NAMD simulation at HPC without GPU ?
> when i should need GPU at my HPC?
> dos this mack deference in performance?
> Thank you

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