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ehb54 / genapp

GenApp
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NAMDrunner #4

Open ehb54 opened 2 years ago

ehb54 commented 2 years ago

@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 commented 2 years ago

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

ehb54 commented 2 years ago

@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 commented 2 years ago

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

ehb54 commented 2 years ago

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

ehb54 commented 2 years ago

@DImuthuUpe Can you send me via email:

  1. preferred user name for linux login
  2. xsede portal user name
  3. public ssh key
DImuthuUpe commented 2 years ago

@ehb54 Just sent

ehb54 commented 2 years ago

@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 commented 2 years ago

Podman install instructions

ehb54 commented 2 years ago

genapp-net equivalent using RBAC

ehb54 commented 2 years ago

Alternative shared storage to NFS