NAMDrunner

[ehb54]

@DImuthuUpe
Have you seen this
I need to port NAMDrunner to JS2 also.
Not sure if you are interested to help, we could probably get a paper out of it.
Also have ideas for some good improvement.

[DImuthuUpe]

@ehb54 Absolutely. I am interested. Let me know how you want to proceed.

[ehb54]

@DImuthuUpe
Let me get together a plan, perhaps we can setup a meeting next week to go over it.
Preliminary thoughts -

1. Get you familiar with GenApp & it's execution model
   a. i wlil give you an overview when we meet, then set you up for a tutorial you can work through
2. namd -> will need to create a container that runs efficiently on the GPU nodes
3. NFS setup - should be described in the paper. On JS1 we have genapp-net, will need something similar for JS2

[DImuthuUpe]

@ehb54 Sounds good. I am free on Monday after 10 am EST. Let me know if you are available.

[ehb54]

@DImuthuUpe
Sure, 11 am eastern would work, I'll send you coordinates via email.

[ehb54]

@DImuthuUpe
Can you send me via email:

1. preferred user name for linux login
2. xsede portal user name
3. public ssh key

[DImuthuUpe]

@ehb54 Just sent

[ehb54]

@DImuthuUpe
update - JS2 GPU is actually fine, managed to start one and checked, all good there. You should now have access to my JS2 & JS2-GPU allocation. Asked Jeremy on js2-early-ops about podman.

[ehb54]

Podman install instructions

[ehb54]

genapp-net equivalent using RBAC

[ehb54]

Alternative shared storage to NFS