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Update brew recipe

This commit is contained in:
Paul Kent 2017-12-19 21:17:38 -05:00
parent 17cfa871e0
commit fa1c858818
1 changed files with 15 additions and 16 deletions
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manual/installation.tex
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@ -343,7 +343,7 @@ cmake \
\end{verbatim}
\subsection{Using vendor optimized numerical libraries, e.g. Intel MKL}
Although QMC does not make extensive use of linear algebra, use of
vendor optimized libraries is strongly recommended for highest
performance. BLAS routines are used in the Slater determinant update, the VMC wavefunction optimizer
@ -364,7 +364,7 @@ cmake \
\end{verbatim}
MKLROOT is the directory containing the MKL binary, examples, and lib
directories (etc.) and is often /opt/intel/mkl
directories (etc.) and is often /opt/intel/mkl
\subsection{Cross compiling}
Cross-compiling is often difficult but is required on supercomputers
@ -524,8 +524,7 @@ This recipe was verified on 1 July 2016 on a Mac running OS X 10.11.5
Homebrew is a package manager for OS X that provides a convenient
route to install all the QMCPACK dependencies. The
following recipe will install the latest available versions of each
package. This was successfully tested under OS X 10.11 ``El
Capitain'' in February 2016. Note that it is necessary to build the MPI software from
package. This was successfully tested under OS X 10.12 ``Sierra'' in December 2017. Note that it is necessary to build the MPI software from
source to use the brew-provided gcc instead of Apple CLANG.
\begin{enumerate}
@ -537,12 +536,12 @@ source to use the brew-provided gcc instead of Apple CLANG.
\item Install the prerequisites
\begin{verbatim}
brew install gcc # Builds full gcc 5 from scratch, will take 30 minutes
export HOMEBREW_CXX=g++-5
export HOMEBREW_CC=gcc-5
brew install gcc # installs gcc 7.2.0 on 2017-12-19
export HOMEBREW_CXX=g++-7
export HOMEBREW_CC=gcc-7
brew install mpich2 --build-from-source
# Build from source required to use homebrew compiled compilers as
# opposed to Apple CLANG. Check "mpicc -v" indicates Homebrew gcc 5.x.x
# opposed to Apple CLANG. Check "mpicc -v" indicates Homebrew gcc
brew install cmake
brew install fftw
brew install boost
@ -556,7 +555,7 @@ cmake -DCMAKE_C_COMPILER=/usr/local/bin/mpicc \
make -j 12
\end{verbatim}
\item Run the short tests. When MPICH is used for the first time, OS
X will request approval of the network connection.
X will request approval of the network connection for each executable.
\begin{verbatim}
ctest -R short
\end{verbatim}
@ -737,8 +736,8 @@ installed at NERSC.
\begin{verbatim}
export CRAYPE_LINK_TYPE=dynamic
module unload cray-libsci
module load boost
module unload cray-libsci
module load boost
module load cray-hdf5-parallel
module load cmake
mkdir build_cori_hsw
@ -776,9 +775,9 @@ generation is appropriate for the KNL nodes:
\begin{verbatim}
export CRAYPE_LINK_TYPE=dynamic
module swap craype-haswell craype-mic-knl
module unload cray-libsci
module load boost
module swap craype-haswell craype-mic-knl
module unload cray-libsci
module load boost
module load cray-hdf5-parallel
module load cmake
mkdir build_cori_knl
@ -883,8 +882,8 @@ called or found. If the QMC runs appear to work but all the other
tests fail it is possible that python is not working on your system -
we suggest checking some of the test console output in \texttt{build/Testing/Temporary/LastTest.log}
or the output files under \texttt{build/tests/}.
%The runs occur in \texttt{build/tests/test\_dir/test\_name}.
%The runs occur in \texttt{build/tests/test\_dir/test\_name}.
Note that because most of these tests are very small, consisting of only a few
electrons, the performance is not representative of larger