Setup

• modules Files

• I prepared several configuration files so Amber, Qchem, and several conda environments can be loaded

• To include them in your shell environment, add the following to ~/.bashrc

# Prepends directory path of module files to MODULEPATH environment
source /home/van/env.sh 

Note

For example

1. Use text editor (vim/nano), and write source /home/van/env.sh at the end of ~/.bashrc

2. Useecho to append this line to ~/.bashrc echo "source /home/van/env.sh" >> ~/.bashrc

• Every time a new shell is initiated, ~/.bashrc will be read and configure the shell environment with the custom modules

  • These changes will take effect in the next login

  • To enable it for the current session, you can also manually, source ~/.bashrc

• Run module av to see the new modules