✨ NEW: Consider adding access to a remote cluster

[ltalirz]

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External compute resource: set up a temporary compute cluster on AWS using elasticluster https://github.com/gc3-uzh-ch/elasticluster

[ltalirz]

• use this to make a more in-depth explanation of computer setup

[ltalirz]

For future reference - I've already started looking into elasticluster and made some progress in the tutorial-aiida-private repo.

For the 2019-xiamen event, we went with letting users run on the computer of their neighbor instead (which for small calculations is probably just as good).

[ramirezfranciscof]

Is this something we want to add for the 2020 virtual tutorial?

[mbercx]

Is this something we want to add for the 2020 virtual tutorial?

Apparently it wasn't. 😁 Maybe 2021 will be the year though? Adding to project

[ltalirz]

I guess at the moment, there is no longer any "running on someone else's computer" in the tutorial. I think this is one of the strengths of AiiDA, so it would indeed be useful to bring this back (in whatever form)

[mbercx]

I guess at the moment, there is no longer any "running on someone else's computer" in the tutorial. I think this is one of the strengths of AiiDA, so it would indeed be useful to bring this back (in whatever form)

Indeed. @csadorf: Any ideas on how we could do this on AWS? Make a separate EKS that they can connect to?

[csadorf]

I guess at the moment, there is no longer any "running on someone else's computer" in the tutorial. I think this is one of the strengths of AiiDA, so it would indeed be useful to bring this back (in whatever form)

Indeed. @csadorf: Any ideas on how we could do this on AWS? Make a separate EKS that they can connect to?

No need for a separate cluster. But we can try to deploy an instance with scheduler within the same cluster.

Edit: Or have a separate cluster, whatever works best (I'll look into it).

[ramirezfranciscof]

I think we need to be careful with this section because unlike all other parts of the tutorial, we can't implement it in a way that people can do outside of the tutorial (i.e. the cluster we deploy will only be available then).

I also agree remote resource managements is one of aiida's core strenght, but maybe this part would need to be its own little module and we should add some "optional" more detailed sections on how to customize the computer and code settings/configuration...

[mbercx]

Good point @ramirezfranciscof! Having a separate module that we can just use for events might be a good idea.

@csadorf if this doesn't require a second cluster, is it also some that could be set up on the AiiDAlab demo cluster?

[csadorf]

@csadorf if this doesn't require a second cluster, is it also some that could be set up on the AiiDAlab demo cluster?

I am not sure, we will have to test it. Another solution might be to create an AWS ParallelCluster resource that we can connect to.