From: Ryan McGreevy (ryanmcgreevy_at_ks.uiuc.edu)
Date: Wed Sep 04 2019 - 13:22:04 CDT
There is nothing special about the namd that is on the AMI, so you will
need to run it as you would normally anywhere else on a comparable hardware
environment. In this case, 'namd2 +pN' where N is the number of cores
should suffice, assuming you are doing a simple single node simulation.
On Wed, Sep 4, 2019, 2:10 PM Sanjay Hari <shari_at_universalsequencing.com>
> I want to run NAMD on an Amazon EC2 instance. Fortunately, it looks like
> there is already an AMI for this exact purpose, and there is even a great
> tutorial <https://www.ks.uiuc.edu/Research/cloud/UsingAWS.pdf> on getting
> it running and accessible through DCV. However, once I am in the AMI
> environment, what is the best way to actually run NAMD? Specifically, if I
> just run “namd <input>” does it automatically use the full resources of the
> instance, or do I need to use charmrun as described in the user guide?
> Searching the mailing list archive yielded some older results that predate
> the AMI introduction. Thanks.
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