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
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN">
<!--Converted with LaTeX2HTML 2019.2 (Released June 5, 2019) -->
<HTML lang="EN">
<HEAD>
<TITLE>4 Parallelism</TITLE>
<META NAME="description" CONTENT="4 Parallelism">
<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="node9.html">
<LINK REL="previous" HREF="node4.html">
<LINK REL="next" HREF="node7.html">
</HEAD>
<BODY >
<!--Navigation Panel-->
<A
HREF="node7.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="node5.html">
<IMG WIDTH="63" HEIGHT="24" ALT="previous" SRC="prev.png"></A>
<A ID="tex2html35"
HREF="node1.html">
<IMG WIDTH="65" HEIGHT="24" ALT="contents" SRC="contents.png"></A>
<BR>
<B> Next:</B> <A
HREF="node7.html">4.1 Running on parallel</A>
<B> Up:</B> <A
HREF="user_guide.html">User's Guide for The</A>
<B> Previous:</B> <A
HREF="node5.html">3.1 Running examples</A>
<B> <A ID="tex2html36"
HREF="node1.html">Contents</A></B>
<BR>
<BR>
<!--End of Navigation Panel-->
<H1><A ID="SECTION00050000000000000000"></A>
<A ID="Sec:para"></A>
<BR>
4 Parallelism
</H1>
<P>
The <TT>PWneb</TT> code is interfaced to <TT>PWscf</TT>, which is used as computational engine
for total energies and forces. It can therefore take advantage from the two
parallelization paradigms currently implemented in Q<SMALL>UANTUM </SMALL>ESPRESSO, namely
Message Passing Interface (MPI) and OpenMP threads, and exploit
all <TT>PWscf</TT>-specific parallelization options.
For a detailed information about parallelization in Q<SMALL>UANTUM </SMALL>ESPRESSO,
please refer to the general documentation.
<P>
As <TT>PWneb</TT> makes several independent evaluations of energy and forces at each step of
the path optimization (one for each point in the configurational space,
called ``image'', consituting the path)
it is possible to distribute them among processors using an additional level of
parallelization (see later).
<P>
<BR><HR>
<!--Table of Child-Links-->
<A ID="CHILD_LINKS"><STRONG>Subsections</STRONG></A>
<UL>
<LI><A ID="tex2html37"
HREF="node7.html">4.1 Running on parallel machines</A>
<LI><A ID="tex2html38"
HREF="node8.html">4.2 Parallelization levels</A>
</UL>
<!--End of Table of Child-Links-->
<BR><HR>
</BODY>
</HTML>
|