launchers

Scripts to launch calculations to BIFI queues

List of launchers (for agustina)

• G16_launcher
• GMX_launcher
• GMX_replicater
• ORCA_launcher
• JAGUAR_launcher
• VASP_launcher
• SCRIPT_launcher
• INTERACTIVE_launcher

Installation

No explicit installation is required. Just clone the repository to your preferred location. To include this folder in your path you can source the configuration file launchers.rc in your .bashrc file. Then restart the session and you are ready to go.

This same process can be briefly described with the following commands:

cd $HOME/bin
git clone https://github.com/unizar-qtc/launchers
echo "source $PWD/launchers/launchers.rc" >> $HOME/.bashrc

Default values

Any of the default values used by the launchers can be modified using launchers_def.sh. This script will modify the default values hard-coded in all the launchers. The available values to be modified are: nodes, cores, memory, gpus, queue, account. To use it:

bash launchers_def.sh <variable> <value>

Usage

To launch a calculation type the corresponding launcher script followed by additional options (if any) and finally the one or several input files.

Additional information about a specific launcher can be found in the launcher's documentation or using the -h option.