Public Repository

Last pushed: a year ago
Short Description
nwchem-6.6 build on Ubuntu 14.04 with OpenBlas
Full Description

This is a ubuntu:14.04 container with a basic NWChem installation. To open a bash shell in this container, run:

docker run -dv <host_system_dir>:/data nwchem "input.nw"

this command return container ID to read logs by
docker logs <container ID>

Also It is possible to pause execution, and then continue.
docker pause <container ID>
docker unpause <container ID>

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