Installing Quantum ESPRESSO on Linux-UBUNTU for Parallel Execution [TUTORIAL]

Published: 06 May 2019
on channel: Phys Whiz

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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/...

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