- [HLRS] added new figure, added copyright remarks to captions

source/KKRnano/doc/HPC_Springer_chapter_2018/KKRnano_springer.tex

@@ -41,6 +41,7 @@
 \usepackage[usenames,dvipsnames]{xcolor}
 \usepackage{bm}
 \usepackage[caption=false]{subfig}
+%\usepackage{textcomp}
 \usepackage{tikz}
 \usetikzlibrary{decorations.markings}
 \usetikzlibrary{shapes.misc,shapes.geometric,arrows,positioning,automata, patterns}
@@ -203,14 +204,13 @@ The singularity at the center of the texture exists only in the micromagnetic de
 atomic magnetic moment of the atom, which is located at the center,
 remains finite \cite{feldtkeller_continuous_2017}.
 \begin{figure}[htb]
-	\subfloat[]{\includegraphics[width=.45\textwidth]{Figures/B20_hedgehog_antihedgehog.pdf}\label{fig:mnge_3q}}
+	\subfloat[]{\includegraphics[width=.50\textwidth]{Figures/antihedgehog.png}\label{fig:mnge_3q}}
 	\hfill
-	\subfloat[]{\includegraphics[width=.45\textwidth]{Figures/helicalspiral.eps}\label{fig:mnge_spiral}}
+	\subfloat[]{\includegraphics[width=.50\textwidth]{Figures/helicalspiral.eps}\label{fig:mnge_spiral}}
 	\hfill
  \caption{Magnetic textures that are found experimentally in B20-\ce{MnGe}: (a) 
 	Magnetic anti-hedgehog texture that is wrapped around a singularity at the center.
-	Reprinted with permission from \cite{zhang_electric_2016}. Copyright 2016 by
-	the American Physical Society. (b) Helical
+	Published with kind permission of © Nikolai Kiselev 2018. All Rights Reserved. (b) Helical
 	spin spiral that propagates in (001) direction. Reprinted from \cite{rybakov_new_2016} and
 	licensed under CC BY 3.0.}
 \end{figure}
@@ -288,7 +288,8 @@ lattice constant is varied.
 	are energetically preferable for $a > 5.0$ \AA.
 	Bottom: Magnetic moment per \ce{Mn} atom increases with lattice constant.
 	High-spin/Low-spin transition is clearly visible between $a=4.60$ and $a=4.70$ \AA.
-	Experimentally, the magnetic moment is measured to be $\approx 2 \mu_B$.}
+	Experimentally, the magnetic moment is measured to be $\approx 2 \mu_B$.
+	Published with kind permission of © Marcel Bornemann 2018. All Rights Reserved.}
 \label{fig:MnGe_kkrnano_comparison}
 \end{figure}
 Such a variation is performed in the upper part of \cref{fig:MnGe_kkrnano_comparison}, where
@@ -339,7 +340,7 @@ artificially stronger.
 	\caption{Illustration of a Bloch point in real space with all magnetic moments
 	pointing out of the center of the Bloch sphere.
 	We use the same magnetic configuration but invert the spin direction so that all moments point
-	into the center. Figure provided by Nikolai Kiselev.
+	into the center. Published with kind permission of © Nikolai Kiselev 2018. All Rights Reserved.
 	}
 	\label{fig:mnge_blochpoint}
 \end{figure}
@@ -389,7 +390,8 @@ B20 materials \cite{chizhikov_multishell_2013}.
    \includegraphics[width=1.00\textwidth]{Figures/MnGe_ferro_bp.eps}
 	\caption{Effect of increased SOC on B20-\ce{MnGe} in a 6x6x6 supercell.
 	Top: Total energy difference between (relaxed) Bloch point and (relaxed) ferromagnet.
-	Bottom: Magnetic moment of ferromagnet and Bloch point state.}
+	Bottom: Magnetic moment of ferromagnet and Bloch point state.
+	Published with kind permission of © Marcel Bornemann 2018. All Rights Reserved.}
 \label{fig:MnGe_kkrnano_comparison_bp}
 \end{figure}
 A series of calculations is conducted ranging from the physical value of the SOC 
@@ -527,6 +529,7 @@ Parts filled with blue comprise routines
 where OpenMP is used and where this can be of high importance to the overall performance 
 while in the striped blue parts
 OpenMP is used but is less significant.
+Published with kind permission of © Marcel Bornemann 2018. All Rights Reserved.
 }
 \label{fig:kkrnano_parallel}
 \end{figure}
@@ -548,6 +551,8 @@ The calculation of the local charge density can also be conducted locally since
 $nn$-elements are needed for this.
 In order to subsequently obtain the potential from the local charge moments via the Poisson equation,
 the moments must be shared with all other atom tasks by means of all-to-all communication.
+The communcation pattern prevents a good scaling behaviour in this part of the code and we currently work on
+an implementation which works without all-to-all communication.
 
 \subsubsection*{MPI parallelization over spin channels}
 
@@ -680,6 +685,7 @@ This and the read-in of the four files mentioned above accounts for most of the
 	for different B20-\ce{MnGe} supercell sizes with KKRnano. 
 	The total runtime and the individual runtimes for the single-cell solver,
 	the multiple-scattering solver and the electrostatics solver are given.
+	Published with kind permission of © Marcel Bornemann 2018. All Rights Reserved.
 	}
 \label{fig:MnGe_6x6x6_benchmark}
 \end{figure}
@@ -723,6 +729,7 @@ picture of which routines are performance-critical and should be considered for
 	The runtimes are divided into four subgroups which are described in the text.
 	The fraction of the total runtime in each subgroup that is spent in
 	routines of Intel's highly-optimized MKL library is highlighted in blue.
+	Published with kind permission of © Marcel Bornemann 2018. All Rights Reserved.
 	}
 \label{fig:MnGe_6x6x6_crayreport}
 \end{figure}