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Dockerfile
README.md

README.md

OpenQEMIST Docker image

This is a fully configured Docker image for running OpenQEMIST, and building the documentation.

Getting started

On some platforms, limiting the number of threads that OpenMP uses to the number of available processors improves performance. To do this, run the docker container with --env OMP_NUM_THREADS=2 to limit the number of threads. We have observed this number to work well, but some experimentation should be done on each new platform.

Running Examples

If running Jupyter notebooks inside the docker container, run the docker container with the port that Jupyter is serving on exposed. The default is 8888, so use the -p 8888:8888 argument. Then run the Jypiter notebook with

$jupyter notebook --no-browser --allow-root --ip=0.0.0.0
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