/usr/share/doc/quantum-espresso/html/node12.html is in quantum-espresso-data 6.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 | <!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--Converted with LaTeX2HTML 2008 (1.71)
original version by: Nikos Drakos, CBLU, University of Leeds
* revised and updated by: Marcus Hennecke, Ross Moore, Herb Swan
* with significant contributions from:
Jens Lippmann, Marek Rouchal, Martin Wilck and others -->
<HTML>
<HEAD>
<TITLE>2.5 Compilation</TITLE>
<META NAME="description" CONTENT="2.5 Compilation">
<META NAME="keywords" CONTENT="user_guide">
<META NAME="resource-type" CONTENT="document">
<META NAME="distribution" CONTENT="global">
<META NAME="Generator" CONTENT="LaTeX2HTML v2008">
<META HTTP-EQUIV="Content-Style-Type" CONTENT="text/css">
<LINK REL="STYLESHEET" HREF="user_guide.css">
<LINK REL="next" HREF="node13.html">
<LINK REL="previous" HREF="node11.html">
<LINK REL="up" HREF="node7.html">
<LINK REL="next" HREF="node13.html">
</HEAD>
<BODY >
<!--Navigation Panel-->
<A NAME="tex2html267"
HREF="node13.html">
<IMG WIDTH="37" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="next" SRC="next.png"></A>
<A NAME="tex2html263"
HREF="node7.html">
<IMG WIDTH="26" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="up" SRC="up.png"></A>
<A NAME="tex2html257"
HREF="node11.html">
<IMG WIDTH="63" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="previous" SRC="prev.png"></A>
<A NAME="tex2html265"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A NAME="tex2html268"
HREF="node13.html">2.6 Running tests and</A>
<B> Up:</B> <A NAME="tex2html264"
HREF="node7.html">2 Installation</A>
<B> Previous:</B> <A NAME="tex2html258"
HREF="node11.html">2.4 Libraries</A>
<B> <A NAME="tex2html266"
HREF="node1.html">Contents</A></B>
<BR>
<BR>
<!--End of Navigation Panel-->
<H2><A NAME="SECTION00035000000000000000"></A>
<A NAME="SubSec:Compilation"></A>
<BR>
2.5 Compilation
</H2>
<P>
There are a few adjustable parameters in <TT>Modules/parameters.f90</TT>.
The
present values will work for most cases. All other variables are dynamically
allocated: you do not need to recompile your code for a different system.
<P>
At your choice, you may compile the complete Q<SMALL>UANTUM </SMALL>ESPRESSO suite of programs
(with <TT>make all</TT>), or only some specific programs. <TT>make</TT> with no arguments yields a list of valid compilation targets:
<UL>
<LI><TT>make pw</TT> compiles the self-consistent-field package <TT>PWscf</TT>
</LI>
<LI><TT>make cp</TT> compiles the Car-Parrinello package <TT>CP</TT>
</LI>
<LI><TT>make neb</TT> downloads <TT>PWneb</TT> package from <TT>qe-forge</TT>
unpacks it and compiles it. All executables are linked
in main <TT>bin</TT> directory
</LI>
<LI><TT>make ph</TT> downloads <TT>PHonon</TT> package from <TT>qe-forge</TT>
unpacks it and compiles it. All executables are linked
in main <TT>bin</TT> directory
</LI>
<LI><TT>make pp</TT> compiles the postprocessing package <TT>PostProc</TT>
</LI>
<LI><TT>make pwcond</TT> downloads the balistic conductance package <TT>PWcond</TT>
from <TT>QE-FORGE</TT>
unpacks it and compiles it. All executables are linked
in main <TT>bin</TT> directory
</LI>
<LI><TT>make pwall</TT> produces all of the above.
</LI>
<LI><TT>make ld1</TT> downloads the pseudopotential generator package <TT>atomic</TT>
from <TT>QE-FORGE</TT>
unpacks it and compiles it. All executables are linked
in main <TT>bin</TT> directory
</LI>
<LI><TT>make xspectra</TT> downloads the package <TT>XSpectra</TT>
from <TT>QE-FORGE</TT>
unpacks it and compiles it. All executables are linked
in main <TT>bin</TT> directory
</LI>
<LI><TT>make upf</TT> produces utilities for pseudopotential conversion in
directory <TT>upftools/</TT>
</LI>
<LI><TT>make all</TT> produces all of the above
</LI>
<LI><TT>make plumed</TT> unpacks <TT>PLUMED</TT>, patches several routines
in <TT>PW/</TT>, <TT>CPV/</TT> and <TT>clib/</TT>,
recompiles <TT>PWscf</TT> and <TT>CP</TT> with <TT>PLUMED</TT>
support
</LI>
<LI><TT>make w90</TT> downloads <TT>wannier90</TT>, unpacks it, copies an appropriate
<TT>make.inc</TT> file, produces all executables
in <TT>W90/wannier90.x</TT> and in <TT>bin/</TT>
</LI>
<LI><TT>make want</TT> downloads <TT>WanT</TT> from <TT>QE-FORGE</TT>,
unpacks it, runs its <TT>configure</TT>,
produces all executables for <TT>WanT</TT> in
<TT>WANT/bin</TT>.
</LI>
<LI><TT>make yambo</TT> downloads <TT>yambo</TT> from <TT>QE-FORGE</TT>,
unpacks it, runs its <TT>configure</TT>,
produces all <TT>yambo</TT> executables in
<TT>YAMBO/bin</TT>
</LI>
<LI><TT>make gipaw</TT> downloads <TT>GIPAW</TT> from <TT>QE-FORGE</TT>,
unpacks it, runs its <TT>configure</TT>,
produces all <TT>GIPAW</TT> executables in
<TT>GIPAW/bin</TT> and in main <TT>bin</TT> directory.
</LI>
<LI><TT>make west</TT> downloads <TT>WEST</TT> from <TT>www.west-code.org</TT>,
unpacks it, produces all the executables
in <TT>West/Wfreq</TT> and <TT>West/Wstat</TT>.
</LI>
</UL>
For the setup of the GUI, refer to the <TT>PWgui-X.Y.Z /INSTALL</TT> file, where
X.Y.Z stands for the version number of the GUI (should be the same as the
general version number). If you are using the SVN sources, see
the <TT>GUI/README</TT> file instead.
<P>
If <TT>make</TT> refuses for some reason to download additional
packages, manually download them into subdirectory
<TT>archive/</TT>, <EM>not unpacking or or uncompressing them</EM>,
and try <TT>make</TT> again. Also see Sec.(<A HREF="node8.html#SubSec:Download">2.1</A>).
<P>
<HR>
<!--Navigation Panel-->
<A NAME="tex2html267"
HREF="node13.html">
<IMG WIDTH="37" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="next" SRC="next.png"></A>
<A NAME="tex2html263"
HREF="node7.html">
<IMG WIDTH="26" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="up" SRC="up.png"></A>
<A NAME="tex2html257"
HREF="node11.html">
<IMG WIDTH="63" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="previous" SRC="prev.png"></A>
<A NAME="tex2html265"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALIGN="BOTTOM" BORDER="0" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A NAME="tex2html268"
HREF="node13.html">2.6 Running tests and</A>
<B> Up:</B> <A NAME="tex2html264"
HREF="node7.html">2 Installation</A>
<B> Previous:</B> <A NAME="tex2html258"
HREF="node11.html">2.4 Libraries</A>
<B> <A NAME="tex2html266"
HREF="node1.html">Contents</A></B>
<!--End of Navigation Panel-->
<ADDRESS>
Filippo Spiga
2016-10-04
</ADDRESS>
</BODY>
</HTML>
|