# How to run EOS workflows ## Login to Expanse ```shell ssh your-username@login.expanse.sdsc.edu ``` Request an interactive computation job: ```shell= srun --partition=debug --pty --account=col146 --nodes=1 --ntasks-per-node=112 --mem=128G -t 00:30:00 --wait=0 --export=ALL ``` See if we succeeded: ```shell= squeue --me ``` Go to that compute node: ```shell= ssh exp-9-55 ``` ## Installation of the workflows First, install Julia, go to website: https://github.com/JuliaLang/juliaup, and copy the following command: ```shell curl -fsSL https://install.julialang.org | sh ``` Paste it in your terminal. Run ```shell= wget https://raw.githubusercontent.com/MineralsCloud/WorkshopFall2022/main/qz/setup.jl git pull ``` If you see some erro message when running Julia, try to run ```shell rm ~/.julia/config/startup.jl ``` And then we install it again. After that, by doing ```shell= julia setup.jl ``` will we have all the packages needed installed. ## Running the workflow Enable Conda version of QE: ```shell= conda activate ~/miniconda3/envs/qe ``` If QE is loaded: ```shell= which pw.x which julia which xps ``` Go to file dir: ```shell= cd ~/ ``` Run EOS workflow: ```shell= xps run eos.yaml ``` Wait