Installing Quantum-ESPRESSO with OpenMPI, Intel Compilers and MKL

Installing Quantum-ESPRESSO with OpenMPI, Intel Compilers and MKL

Do read the Quantum-ESPRESSO website on the requirements required.
Installing the Quantum-Espresso distribution

In this blog entry, I'm compiling Quantum-ESPRESSO with OpenMPI, Intel Compilers and MKL. First thing first, prepare the prerequisites

If you are eligible for the Intel Compiler Free Download. Download the Free Non-Commercial Intel Compiler Download
Compile Intel Compilers with OpenMPI. See Building OpenMPI with Intel Compiler. Make sure your pathing are properly written and sourced.
Install FFTW. For more information, see Installing FFTW

And now Installing Quantum Espresso

Untar the Quantum Espresso package
```
# tar -zxvf espresso-4.1.3.tar.gz
```
Go to the espresso package directory
```
# cd espresso-4.1.3/
# ./configure
```
Finall Compile
```
# make all
```
. You should see a number of *.x in the $ESPRESSO_SOURCE/bin directory.
Make sure you PATH your binaries. For more information, see Installing the Quantum-Espresso distribution