First time in HPC competition! Participating ISC online with only two month experience in hpc...
An integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
A core component of the Quantum ESPRESSO distribution. CP can perform Car-Parrinello molecular dynamics, including variable-cell dynamics
A set of programs for electronic structure calculations within density functional theory and density functional perturbation theory, using plane wave basis sets and pseudopotentials.
On FAU cluster with Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz CPU
Intel2021 with IntelMPI
Simply run the build.sh and sbatch the job_script.sh