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2.2 Installation

To install QUANTUM ESPRESSO from source, you need C and Fortran-95 compilers (Fortran-90 is not sufficient, but most ``Fortran-90'' compilers are actually Fortran-95-compliant). If you don't have a commercial Fortran-95 compilers, you may install the free g95 compiler: (http://www.g95.org/) or the GNU fortran compiler gfortran: (http://www.gfortran.org/). Note that both the C and the F90 compilers must be in your PATH, or else their full path must be explicitly given.

You also need a minimal Unix environment: basically, a command shell (e.g., bash or tcsh) and the utilities make, awk and sed. MS-Windows users need to have Cygwin (a UNIX environment which runs under Windows) installed: see http://www.cygwin.com/. Note that the scripts contained in the distribution assume that the local language is set to the standard, i.e. "C"; other settings may break them. Use

    export LC_ALL=C
or
    setenv LC_ALL C
to prevent any problem when running scripts (including installation scripts).

Instructions for the impatient:

    cd espresso-4.1/
    ./configure
     make all
Executable programs (actually, symlinks to them) will be placed in the bin/ subdirectory.

If you have problems or would like to tweak the default settings, read the detailed instructions below.


next up previous contents
Next: 2.3 configure Up: 2 Installing QUANTUM ESPRESSO Previous: 2.1 Download Contents
Paolo Giannozzi 2010-04-08