Fulvio Paleari

@palful

Joined on Oct 13, 2022

  • [name=Fulvio] You can write comments like this. TODO: merge with updated yambo version (5.2.3) prepare test-suite on corvinaTESTS: hBN standard, hBN + U, hBN + Covariant dipoles add diagonal-only Hbare calculation as flag to Hbare_from_scratch + warning if ib/=ibp, in that case compute the full one Recreate a parallel structure for the WF in Hbare_from_scratch before loading, following the QP case
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  • :::success Useful info for the tutorial: Check the table of contents below for the planned sections of the tutorial. Please download the directory containing the tutorial HERE and copy it in your user directory. ::: In this tutorial you will learn how to run a GW simulation using Yambo on a HPC machine.
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  • :::success Useful info for the tutorial: Check the table of contents below for the planned sections of the tutorial. There is an additional page here containing the various scripts and files: inputs, postprocessing and some GPU submission scripts. Thoroughout the tutorial we assume that we are using slurm as the cluster scheduler. In addition, the submission scripts are based on the VEGA cluster. Be careful and modify these scripts and command according to the specifics of the machine where you are working. The figures about parallel scaling and GPUs are also done on VEGA. You will not obtain the exact same scaling plots and times on a different machine. Please download the directory containing the tutorial HERE and copy it in your user directory. :::
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  • [name=Fulvio] Here we give a reference for the various files and scripts used in the tutorials [TOC] GW input file for parallel section # ____ ____ _ ____ ____ ______ ___ # |_ _||_ _| / \ |_ \ / _||_ _ \ ." `. # \ \ / / / _ \ | \/ | | |_) | / .-. \ # \ \/ / / ___ \ | |\ /| | | __". | | | |
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