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Changed CMakeLists exectuable to dftfe. Appropriate changes in the ma…
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…nual also made. ctests passed.
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dsambit committed Sep 19, 2018
1 parent 0f55ef5 commit ef73940
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Showing 3 changed files with 11 additions and 11 deletions.
4 changes: 2 additions & 2 deletions CMakeLists.txt
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Expand Up @@ -3,8 +3,8 @@
##

# Set the name of the project and target:
SET(TARGET "main")
SET(TARGETLIB "dftfe")
SET(TARGET "dftfe")
SET(TARGETLIB "dftFE")

INCLUDE_DIRECTORIES(
${CMAKE_SOURCE_DIR}/include
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8 changes: 4 additions & 4 deletions doc/manual/installation.tex
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Expand Up @@ -249,8 +249,8 @@ \subsection{Obtaining and Compiling \dftfe{}}
\end{verbatim}
If compilation is successful, a \verb|/build| directory will be created with the following executables:
\begin{verbatim}
/build/release/real/main
/build/release/complex/main
/build/release/real/dftfe
/build/release/complex/dftfe
\end{verbatim}

\item
Expand All @@ -260,7 +260,7 @@ \subsection{Obtaining and Compiling \dftfe{}}
\end{verbatim}
which will create the following debug mode executables:
\begin{verbatim}
/build/debug/real/main
/build/debug/complex/main
/build/debug/real/dftfe
/build/debug/complex/dftfe
\end{verbatim}
\end{enumerate}
10 changes: 5 additions & 5 deletions doc/manual/rundftfe.tex
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@@ -1,10 +1,10 @@
After compiling \dftfe{} as described in Section~\ref{sec:installation}, we have now two executables --- \verb|/build/release/real/main| and \verb|/build/release/complex/main|. The \verb|/build/release/real/main| executable, which uses real data-structures is sufficient for fully non-periodic problems. The executable can also be used for periodic and semi-periodic problems involving a Gamma point calculation. On the other hand the \verb|/build/release/complex/main| executable, which uses complex data-structures is required for periodic and semi-periodic problems with multiple k point sampling for Brillouin zone integration. These executables are to be used as follows-- for a serial run use
After compiling \dftfe{} as described in Section~\ref{sec:installation}, we have now two executables --- \verb|/build/release/real/dftfe| and \verb|/build/release/complex/dftfe|. The \verb|/build/release/real/dftfe| executable, which uses real data-structures is sufficient for fully non-periodic problems. The executable can also be used for periodic and semi-periodic problems involving a Gamma point calculation. On the other hand the \verb|/build/release/complex/dftfe| executable, which uses complex data-structures is required for periodic and semi-periodic problems with multiple k point sampling for Brillouin zone integration. These executables are to be used as follows-- for a serial run use
\begin{verbatim}
./main parameterFile.prm
./dftfe parameterFile.prm
\end{verbatim}
or, for a parallel run use
\begin{verbatim}
mpirun -n N ./main parameterFile.prm
mpirun -n N ./dftfe parameterFile.prm
\end{verbatim}
to run with N processors.
\subsection{Structuring the input file}
Expand Down Expand Up @@ -166,9 +166,9 @@ \subsubsection{Example 1}\label{sec:example1}
end
end
\end{verbatim}
and now run the problem using the \verb|/build/release/real/main| executable
and now run the problem using the \verb|/build/release/real/dftfe| executable
\begin{verbatim}
mpirun -n 16 ../../build/release/real/main parameterFile_a.prm > outputMesh1 &
mpirun -n 16 ../../build/release/real/dftfe parameterFile_a.prm > outputMesh1 &
\end{verbatim}
From the ``outputMesh1'' file, you can obtain information on the number of degrees of freedom in the auto-generated finite-element mesh and the ground-state energy and forces.

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