AiiDA Standalone installation 4/4: jupyter ========================================== ###### tags: `chapter`, `aiida`, `aiida-kkr`, `by-wasmer`, `private`, `from-2020-10`, `to-2020-11`, `log`, `installation`, `jupyter`, `ssh` [up <i class="fa fa-arrow-up"></i> AiiDA](https://iffmd.fz-juelich.de/WxOZ75GTTHu2MNmnw2u5pA#AiiDA) Created: 2020-10, wasmer. Last modified: 2022-01, wasmer. Decription: This is part of a set of installation log notebooks about how to perform and maintain a standalone installation of AiiDA 1.x on an iff workstation in general, and the plugin AiiDA-KKR specifically, for running calculations on the RWTH CLAIX cluster. However, it should be useful / adaptable to any computer, AiiDA plugin, and cluster. ## Table of Contents [TOC] ## References - [[wasmer_home_dir]](https://iffgit.fz-juelich.de/wasmer/home) with the `~/.bash*` config files mentioned throughout - [ruess_claix-setup-pics](https://iffcloud.fz-juelich.de/f/20683333). pics from claix setup tutorial meeting with ruess (internal iffcloud link) - [benjlindsay_jupyter-remotely](https://benjlindsay.com/posts/running-jupyter-lab-remote) ## First attempt SUCCESS works with combination of [ruess_claix-setup-pics] (ssh options instead of those from benjlindsay) and [benjlindsay_jupyter-remotely] (all the rest). In `iff734` `~/.bashrc`: ```shell # in screen session screen_jupyter: open jupyter-lab tunnel for laptop: alias jupyterlab_tunnel='jupyter lab --no-browser --port=5678' ``` In laptop `~/.bashrc`: ``` # from benjlindsay (function), ruess (ssh options) # 1) on iff734, in screen screen_jupyter, start jupyterlab_tunnel # 2) here, call function. should open jupyterlab in browser # 3) on first call, copy-paste token and set password. next login token not needed anymore. # 3) when done, quit with Ctrl+C. function jupyterlab_tunnel_iff734 { port=5678 remote_username=wasmer remote_hostname=iff734_via_iff url="http://localhost:$port" echo "Opening $url" firefox -new-tab "$url" cmd="ssh -v -N -f -L localhost:"$port":localhost:"$port" $remote_username@$remote_hostname" ## ruess # cmd="ssh -CNL localhost:"$port":localhost:"$port" $remote_username@$remote_hostname" ## benjlindsay echo "Running '$cmd'" eval "$cmd" } ``` Usage: Asuming long-term claix tunnel session is running on `iff734`: ```shell $ source ~/.bash_login $ source ~/.bashrc $ start_env_aiida_kkr $ screen -r screen_ssh_tunnel_claix_aiida $ ssh_tunnel_claix_aiida # C-a d (screen detach, back to shell) ``` Then start long-term jupyter tunnel session on `iff734`: ```shell $ screen -r jupyter $ jupyterlab_tunnel # C-a d (sreen detach, back to shell) ``` Then connect to it on laptop: ```shell $ jupyterlab_tunnel_iff734 # jupyter opens in browser ```
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