Installing the Quantum-Espresso distribution
How to get the distrubution, 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!
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REQUIREMENTS FOR QUANTUM-ESPRESSO INSTALLATION
Things that you MUST have on your machine:
• Unix, or a Unix-like environment (a ****l and the Make utility): Mac OS-X ok, Windows with "cygwin" ok
• a working fortran-95 compiler (most "fortran-90" compilers are ok, "g77" is not)
• a working C compiler ("gcc" is ok)
• for parallel execution: MPI (Message-passing Interface) libraries and (important!) working "mpif90" scripts for parallel compilation
Supported hardware/software configurations: Quantum-ESPRESSO works or may work on the following hardware/software combinations:
• all PCs (Intel/AMD) and PC clusters, including 64-bit CPUs (Itanium, Opteron), with most commercial (Intel, PGI, Pathscale,...) and free (g95, gfortran) compilers (cygwin needed for Windows)
• PowerPC and Intel Macintosh with OS-X
• most workstations: SGI with MIPS CPUs, SUN with SPARC CPUs, HP/Compaq (formerly DEC) with Alpha CPUs (both Linux and Unix), IBM PowerPC RISCs with AIX
• most parallel machines: IBM SP and BG, SGI Origin and Altix, Cray XT
• a few vector machines: NEC, Hitachi
Libraries: Quantum-ESPRESSO uses and provides a copy of the following external libraries:
• BLAS (Basic Linear Algebra Subroutines): https://www.netlib.org/blas
• LAPACK (Linear Algebra Package): https://www.netlib.org/lapack
• FFTW (Fast Fourier-Transform package): https://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