Installing the Quantum ESPRESSO distribution

How to get the distribution, how to install it, i.e. produce the executables; what you need for a succesful installation, and what to do if the installation is NOT successful! Updated March 2018

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Requirements for Quantum ESPRESSO installation

Things that you MUST have on your machine:

• Unix, or a Unix-like environment (a shell and the Make utility): Mac OS-X ok, Windows with "cygwin" ok
• a working fortran compiler compliant with the F2003 standard (not-so-old compilers, e.g., "gfortran", should do the job)
• a working C compiler ("gcc" is ok)

All hardware is supported, as long as it has what is listed above.
In order to run in parallel, you MUST have at least one of the following:

• working MPI (Message-passing Interface): parallel compiler ("mpif90" or similar scripts), MPI libraries, run-time environment ("mpirun" or similar launchers)
• OpenMP-capable compiler and autothreading mathematical libraries (for multi-core CPUs)

Libraries: Quantum ESPRESSO uses and provides a copy of the following external libraries:

• BLAS (Basic Linear Algebra Subroutines): http://www.netlib.org/blas
• LAPACK (Linear Algebra Package): http://www.netlib.org/lapack
• FFTW (Fast Fourier-Transform package): http://www.fftw.org

Things that you SHOULD have on your machine for real-life usage:

• Fast mathematical libraries
• For parallel execution: fast interprocess communication hardware and software

To continue click on the link below:

http://www.fisica.uniud.it/~giannozz/QE-Tutorial/installation.html