Simplified line-input crystal-encoding system (SLICES)
705
(1) Download this repo and unzipped it.
(2) Put Materials Project's new API key in "APIKEY.ini".
(3) Edit "CPUs" in "slurm.conf" to set up the number of CPU threads available for the docker container.
(4) Run following commands in terminal (Linux or WSL2 Ubuntu on Win11)
# Download SLICES_docker with pre-installed SLICES and other relevant packages.
docker pull xiaohang07/slices:v9
# You can download the compressed docker image at https://figshare.com/s/260701a1accd0192de20 if docker pull does not work.
# Then you can load this docker image using the following command:
xz -dc slices_v9.tar.xz | docker load
# Make entrypoint_set_cpus.sh executable
sudo chmod +x entrypoint_set_cpus_jupyter.sh
# Repalce "[]" with the absolute path of this repo's unzipped folder to setup share folder for the docker container.
docker run -it -p 8888:8888 -h workq --shm-size=0.5gb --gpus all -v /[]:/crystal xiaohang07/slices:v9 /crystal/entrypoint_set_cpus_jupyter.sh
(5) Press CTRL (or Command on Mac) and click the link that starts with http://127.0.0.1 in your terminal (highlighted in yellow in the image below). This will open the Jupyter notebook in your web browser. Click on the Tutorial_*.ipynb file to load the relevant tutorial notebook.
Check https://github.com/xiaohang007/SLICES for details
Content type
Image
Digest
sha256:627dd2b39…
Size
5.7 GB
Last updated
4 months ago
Requires Docker Desktop 4.37.1 or later.