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 EESSI, ordered based on software version (new to old).
To start using QuantumESPRESSO, load one of these modules using a module load command like:
(This data was automatically generated on Thu, 12 Sep 2024 at 12:39:49 UTC)
| aarch64/generic | aarch64/neoverse_n1 | aarch64/neoverse_v1 | x86_64/generic | x86_64/amd/zen2 | x86_64/amd/zen3 | x86_64/amd/zen4 | x86_64/intel/haswell | x86_64/intel/skylake_avx512 | |
|---|---|---|---|---|---|---|---|---|---|
| QuantumESPRESSO/7.3.1-foss-2023a | x | x | x | x | x | x | x | x | x |
| QuantumESPRESSO/7.2-foss-2022b | x | x | x | x | x | x | - | x | x |