Quantum ESPRESSO

Quantum ESPRESSO (https://www.quantum-espresso.org) is an open-source first-principles density functional theory materials modeling package and is based on the implementation scheme of plane waves and pseudopotentials.

This AMI provides the pre-compiled Quantum ESPRESSO as a module.

This AMI can be used as a custom AMI for AWS ParallelCluster or as a standalone EC2 instance.

After creating a cluster or a standalone EC2 instance, please run the following command to load the module qe and the dependency module openmpi:

module load openmpi
module load qe

More information about Quantum ESPRESSO at https://www.quantum-espresso.org.