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
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--Converted with LaTeX2HTML 2019.2 (Released June 5, 2019) -->
<HTML lang="EN">
<HEAD>
<TITLE>2 Installation</TITLE>
<META NAME="description" CONTENT="2 Installation">
<META NAME="keywords" CONTENT="user_guide">
<META NAME="resource-type" CONTENT="document">
<META NAME="distribution" CONTENT="global">
<META HTTP-EQUIV="Content-Type" CONTENT="text/html; charset=utf-8">
<META NAME="viewport" CONTENT="width=device-width, initial-scale=1.0">
<META NAME="Generator" CONTENT="LaTeX2HTML v2019.2">
<LINK REL="STYLESHEET" HREF="user_guide.css">
<LINK REL="next" HREF="node17.html">
<LINK REL="previous" HREF="node2.html">
<LINK REL="next" HREF="node8.html">
</HEAD>
<BODY >
<!--Navigation Panel-->
<A
HREF="node8.html">
<IMG WIDTH="37" HEIGHT="24" ALT="next" SRC="next.png"></A>
<A
HREF="user_guide.html">
<IMG WIDTH="26" HEIGHT="24" ALT="up" SRC="up.png"></A>
<A
HREF="node6.html">
<IMG WIDTH="63" HEIGHT="24" ALT="previous" SRC="prev.png"></A>
<A ID="tex2html115"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node8.html">2.1 Download</A>
<B> Up:</B> <A
HREF="user_guide.html">User's Guide for Quantum-ESPRESSO</A>
<B> Previous:</B> <A
HREF="node6.html">1.4 Terms of use</A>
<B> <A ID="tex2html116"
HREF="node1.html">Contents</A></B>
<BR>
<BR>
<!--End of Navigation Panel-->
<H1><A ID="SECTION00030000000000000000">
2 Installation</A>
</H1>
<P>
<BR><HR>
<!--Table of Child-Links-->
<A ID="CHILD_LINKS"><STRONG>Subsections</STRONG></A>
<UL>
<LI><A ID="tex2html117"
HREF="node8.html">2.1 Download</A>
<LI><A ID="tex2html118"
HREF="node9.html">2.2 Prerequisites</A>
<LI><A ID="tex2html119"
HREF="node10.html">2.3 <TT>configure</TT></A>
<UL>
<LI><A ID="tex2html120"
HREF="node10.html#SECTION00033100000000000000">2.3.1 Manual configuration</A>
</UL>
<BR>
<LI><A ID="tex2html121"
HREF="node11.html">2.4 Libraries</A>
<UL>
<LI><A ID="tex2html122"
HREF="node11.html#SECTION00034010000000000000">2.4.0.1 BLAS and LAPACK</A>
<LI><A ID="tex2html123"
HREF="node11.html#SECTION00034020000000000000">2.4.0.2 FFT</A>
<LI><A ID="tex2html124"
HREF="node11.html#SECTION00034030000000000000">2.4.0.3 MPI libraries</A>
<LI><A ID="tex2html125"
HREF="node11.html#SECTION00034040000000000000">2.4.0.4 Libraries for accelerators</A>
<LI><A ID="tex2html126"
HREF="node11.html#SECTION00034050000000000000">2.4.0.5 HDF5</A>
<LI><A ID="tex2html127"
HREF="node11.html#SECTION00034060000000000000">2.4.0.6 Other libraries</A>
<LI><A ID="tex2html128"
HREF="node11.html#SECTION00034070000000000000">2.4.0.7 If optimized libraries are not found</A>
</UL>
<BR>
<LI><A ID="tex2html129"
HREF="node12.html">2.5 Libxc library</A>
<UL>
<LI><A ID="tex2html130"
HREF="node12.html#SECTION00035100000000000000">2.5.1 Linking in Q<SMALL>UANTUM </SMALL>ESPRESSO</A>
<UL>
<LI><A ID="tex2html131"
HREF="node12.html#SECTION00035110000000000000">2.5.1.1 Note for version 5.0.0:</A>
</UL>
<LI><A ID="tex2html132"
HREF="node12.html#SECTION00035200000000000000">2.5.2 Usage</A>
<LI><A ID="tex2html133"
HREF="node12.html#SECTION00035300000000000000">2.5.3 Differences between Libxc and internal functionals</A>
<LI><A ID="tex2html134"
HREF="node12.html#SECTION00035400000000000000">2.5.4 Special cases</A>
<UL>
<LI><A ID="tex2html135"
HREF="node12.html#SECTION00035410000000000000">2.5.4.1 External parameters.</A>
<LI><A ID="tex2html136"
HREF="node12.html#SECTION00035420000000000000">2.5.4.2 Hybrid functionals.</A>
<LI><A ID="tex2html137"
HREF="node12.html#SECTION00035430000000000000">2.5.4.3 Functionals with partial output.</A>
<LI><A ID="tex2html138"
HREF="node12.html#SECTION00035440000000000000">2.5.4.4 Other functionals.</A>
</UL>
<LI><A ID="tex2html139"
HREF="node12.html#SECTION00035500000000000000">2.5.5 XC test</A>
</UL>
<BR>
<LI><A ID="tex2html140"
HREF="node13.html">2.6 Compilation</A>
<LI><A ID="tex2html141"
HREF="node14.html">2.7 Running tests and examples</A>
<UL>
<LI><A ID="tex2html142"
HREF="node14.html#SECTION00037100000000000000">2.7.1 Test-suite</A>
<LI><A ID="tex2html143"
HREF="node14.html#SECTION00037200000000000000">2.7.2 Examples</A>
</UL>
<BR>
<LI><A ID="tex2html144"
HREF="node15.html">2.8 Installation tricks and problems</A>
<UL>
<LI><A ID="tex2html145"
HREF="node15.html#SECTION00038100000000000000">2.8.1 All architectures</A>
<LI><A ID="tex2html146"
HREF="node15.html#SECTION00038200000000000000">2.8.2 Linux PC</A>
<UL>
<LI><A ID="tex2html147"
HREF="node15.html#SECTION00038210000000000000">2.8.2.1 Linux PCs with gfortran</A>
<LI><A ID="tex2html148"
HREF="node15.html#SECTION00038220000000000000">2.8.2.2 Linux PCs with Intel compiler (ifort)</A>
<LI><A ID="tex2html149"
HREF="node15.html#SECTION00038230000000000000">2.8.2.3 Linux PCs with MKL libraries</A>
<LI><A ID="tex2html150"
HREF="node15.html#SECTION00038240000000000000">2.8.2.4 Linux PCs with AMD processors</A>
</UL>
<LI><A ID="tex2html151"
HREF="node15.html#SECTION00038300000000000000">2.8.3 Linux PC clusters with MPI</A>
<LI><A ID="tex2html152"
HREF="node15.html#SECTION00038400000000000000">2.8.4 Microsoft Windows</A>
<LI><A ID="tex2html153"
HREF="node15.html#SECTION00038500000000000000">2.8.5 Mac OS</A>
</UL>
<BR>
<LI><A ID="tex2html154"
HREF="node16.html">2.9 Cray machines</A>
<UL>
<LI><A ID="tex2html155"
HREF="node16.html#SECTION00039100000000000000">2.9.1 Obsolescent architectures</A>
<UL>
<LI><A ID="tex2html156"
HREF="node16.html#SECTION00039110000000000000">2.9.1.1 Intel Xeon Phi</A>
<LI><A ID="tex2html157"
HREF="node16.html#SECTION00039120000000000000">2.9.1.2 IBM BlueGene</A>
</UL></UL></UL>
<!--End of Table of Child-Links-->
<BR><HR>
</BODY>
</HTML>
|
