namd on AWS

From: Miro Astore (miro.astore_at_gmail.com)
Date: Tue Oct 01 2019 - 00:02:14 CDT

Hello everyone.

I am trying to run the namd AMI package and I'm not getting very good
performance. I've tried a few types of p2 and p3 node types and I can't get
comparable performance to my university's HPC clusters when running 2
workloads on the same node. ~200000 atom system. The performance doesn't
appear to be very different from copying over the precompiled binary from
the website. Just wondering if anyone else has encountered this issue.

https://aws.amazon.com/marketplace/pp/B06VSMMHRY

Completely possible I'm just not running things in the correct way, so I
would be very interested to see how you guys run things.

Best, Miro

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