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phanimotamarri authored Aug 15, 2018
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\noindent 2. P. Motamarri, V. Gavini, Subquadratic-scaling subspace projection method for large-scale Kohn-Sham DFT calculations using spectral finite-element discretization, \emph{Phys. Rev. B} 90, 115127 (2014).\\

\noindent 3. P. Motamarri, V. Gavini, V., Configurational forces in electronic structure calculations using Kohn-Sham density functional theory, \emph{Phys. Rev. B} 97 165132 (2018).\\
\noindent 3. P. Motamarri, V. Gavini, Configurational forces in electronic structure calculations using Kohn-Sham density functional theory, \emph{Phys. Rev. B} 97 165132 (2018).\\

\noindent In addition, below are some useful references on finite element method and some online resources that provide a background of finite elements and their application to the solution of partial differential equations.\\

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9 changes: 5 additions & 4 deletions doc/manual/installation.tex
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All the underlying installation instructions assume a Linux operating system. We assume standard tools and libraries like CMake, compilers- (C, C++ and Fortran), and MPI libraries are pre-installed. Most high-performance computers would have the latest version of these libraries in the default environment. However, in many cases you would have to use \href{http://modules.sourceforge.net/}{Environment Modules} to set the correct environment variables for compilers-(C, C++ and Fortran), MPI libraries, and compilation tools like \href{http://www.cmake.org/}{CMake}. For example, on one of the high-performance computers we develop and test the \dftfe{} code, we use the following commands to set the desired environment variables
All the underlying installation instructions assume a Linux operating system. We assume standard tools and libraries like CMake, compilers- (C, C++ and Fortran), and MPI libraries are pre-installed. Most high-performance computers would have the latest version of these libraries in the default environment. However, in many cases you would have to use \href{http://modules.sourceforge.net/}{Environment Modules} to set the correct environment variables for compilers-(C, C++ and Fortran), MPI libraries, and compilation tools like \href{http://www.cmake.org/}{CMake}. \emph{For example, on one of the high-performance computers we develop and test the \dftfe{} code, we can use the following commands to set the desired environment variables}
\begin{verbatim}
$ module load cmake
$ module load intel/18.0.1
$ module load openmpi/3.0.0/intel/18.0.1
$ module load intel
$ module load mpilibrary
\end{verbatim}
We strongly recommend using the latest stable version of compilers-(C, C++ and Fortran), and MPI libraries available on your high-performance computer. {\bf Our experience shows that Intel compilers provide the best performance}. Furthermore, for the installations which use \href{http://www.cmake.org/}{CMake}, version 2.8.12 or later is required.
In the above mpilibrary denotes the MPI library you are using in your system(for eg: openmpi, mpich or intel-mpi).
We strongly recommend using the latest stable version of compilers-(C, C++ and Fortran), and MPI libraries available on your high-performance computer. {\bf Our experience shows that Intel compilers provide the best performance in comparison to GNU compilers}. Furthermore, for the installations which use \href{http://www.cmake.org/}{CMake}, version 2.8.12 or later is required.

\subsection{Compiling and installing external libraries}
\dftfe{} is primarily based on the open source finite element library \href{http://www.dealii.org/}{deal.II}, through which external dependencies
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