Installing Quantum ESPRESSO on Linux-UBUNTU for Parallel Execution [TUTORIAL]
In this tutorial, I show how to install and configure Quantum ESPRESSO for parallel execution on Ubuntu.
Install OpenMPI:
sudo apt-get install openmpi-bin openmpi-doc libopenmpi-dev
Download QE: https://github.com/QEF/q-e/tags
Run a parallel calculation:
mpirun '/home/qe/bin/pw.x' -in scf.in*triangular right bracket* scf.out
Sample Input File:
https://www.bragitoff.com/wp-content/...
Useful links:
https://osuginoissp.wixsite.com/mysit...
https://www.quantum-espresso.org/reso...
https://www.quantum-espresso.org/Doc/...
https://www.quantum-espresso.org/Doc/...