QuantumESPRESSO
Quantum ESPRESSO is an integrated suite of computer codesfor electronic-structure calculations and materials modeling at the nanoscale.It is based on density-functional theory, plane waves, and pseudopotentials(both norm-conserving and ultrasoft).
https://www.quantum-espresso.org
Available modules
The overview below shows which QuantumESPRESSO installations are available per target architecture in the HPCC module system, ordered based on software version (new to old).
To start using QuantumESPRESSO, load one of these modules using a module load command like:
module load QuantumESPRESSO/7.4.1-foss-2023b
(This data was automatically generated on Thu, 10 Jul 2025 at 12:00:14 EDT)
| gateway | generic | zen2 | zen3 | zen4 | haswell | skylake_avx512 | |
|---|---|---|---|---|---|---|---|
| Gateway nodes | everywhere (except Grace nodes) | amd20 | amd22 | amd24 | intel16 | intel18,amd20-v100,amd21,intel21 | |
| QuantumESPRESSO/7.4.1-foss-2023b | - | x | - | - | - | - | - |
| QuantumESPRESSO/7.3.1-foss-2023a | - | - | x | x | - | - | x |
| QuantumESPRESSO/7.3-foss-2023a | - | - | x | x | x | - | x |
| QuantumESPRESSO/7.2-foss-2022b | - | x | - | - | - | x | - |