Scheduler example for running simulations via external systems (AWS, Slurm, etc.) #118
sgbaird
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Examples and tutorials
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See also comments from https://twitter.com/Sergei_Imaging/status/1543581671676678145 |
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AWSRecently, I connected with Morgan Lim and Candi Jeronimo from AWS to talk more about their services in the context of self-driving labs. Exploring further Sagemaker and Lambda functions. |
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Google Cloud PlatformKinston Ackolf is interested in implementing use of the Google Cloud Platform with CLSLab:Light. |
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Right now, the simulations for the demo are lightweight and can be quickly run on local hardware (it's pretty much just an analytic function). However, it's less likely that practical simulations, especially DFT, can be run on someone's local machine or Colab in a high-throughput fashion. I think having some tutorials demonstrating how to run simulations through standard platforms is pragmatic.
Perhaps tutorials for the following:
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