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2.2 Prerequisites
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To install Q<SMALL>UANTUM </SMALL>ESPRESSO from source, you need first of all a minimal Unix
environment: basically, a command shell (e.g.,
bash or tcsh) and the utilities <TT>make</TT>, <TT>awk</TT>, <TT>sed</TT>.
MS-Windows users need to have Cygwin (a UNIX environment which
runs under Windows) installed:
see <TT>http://www.cygwin.com/</TT>. 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 <TT>export LC_ALL=C</TT> (sh/bash) or
<TT>setenv LC_ALL C</TT> (csh/tcsh) to prevent any problem
when running scripts (including installation scripts).
<P>
Second, you need C and Fortran-95 compilers. For parallel
execution, you will also need MPI libraries and a parallel
(i.e. MPI-aware) compiler. For massively parallel machines, or
for simple multicore parallelization, an OpenMP-aware compiler
and libraries are also required.
<P>
Big machines with
specialized hardware (e.g. IBM SP, CRAY, etc) typically have a
Fortran-95 compiler with MPI and OpenMP libraries bundled with
the software. Workstations or ``commodity'' machines, using PC
hardware, may or may not have the needed software. If not, you need
either to buy a commercial product (e.g Portland) or to install
an open-source compiler like gfortran or g95.
Note that several commercial compilers are available free of charge
under some license for academic or personal usage (e.g. Intel, Sun).
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<ADDRESS>
paolo giannozzi
2014-05-28
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