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Added info on latest Mac hardware

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Paolo Giannozzi 2021-10-29 21:23:35 +02:00
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Doc/user_guide.tex
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@ -1225,6 +1225,28 @@ As a final option, one can use Quantum Mobile:\\
\subsubsection{Mac OS}
"I have had some success compiling pw.x on the newish apple hardware.
Running run-tests-pw-parallel resulted in all but 3 tests passed (3 unknown).
QE6.7 works out of the box:
\begin{itemize}
\item Install homebrew
\item Using homebrew install gcc (11.2.0), open-mpi (4.1.1_2),
fftw3 (3.3.10), and veclibfort (0.4.2_7)
\end{itemize}
To configure QE:
\verb|./configure FC=mpif90 CC=mpicc CPP=cpp-11 \
BLAS_LIBS="-L/opt/homebrew/lib -lveclibfort" LIBDIRS=/opt/homebrew/lib|
Current develop branch needed two changes:
\begin{enumerate}
\item The script external/devxlib/config/config.sub is outdated,
and needs to be adjusted to correctly parse the machine information.
I pulled a more up-to-date version from iains/gcc-darwin-arm64 github repo\\
\item PW/src/efermig.f90 needed to be compiled without optimization -O0.
No idea why at the moment."
\end{itemize}
(Info by John Vinson, NIST)
Mac OS-X machines with gfortran or with the Intel compiler ifort
and MKL libraries should work, but "your mileage may vary", depending
upon the specific software stack you are using. Parallel compilation
@ -1640,3 +1662,19 @@ in \qe, but more often than not are a consequence of buggy
compilers or of buggy or miscompiled MPI libraries.
\end{document}
I have had some success compiling pw.x on the newish apple hardware. Running run-tests-pw-parallel resulted in all but 3 tests passed (3 unknown). I will attempt to give complete instructions here.
QE6.7 works out of the box.
Install homebrew
Using homebrew install gcc (11.2.0), open-mpi (4.1.1_2), fftw3 (3.3.10), and veclibfort (0.4.2_7)
To configure QE: ./configure FC=mpif90 CC=mpicc CPP=cpp-11 BLAS_LIBS="-L/opt/homebrew/lib -lveclibfort" LIBDIRS=/opt/homebrew/lib
Current develop branch needed two changes.
The script external/devxlib/config/config.sub is outdated, and needs to be adjusted to correctly parse the machine information. I pulled a more up-to-date version from iains/gcc-darwin-arm64 github repo
PW/src/efermig.f90 needed to be compiled without optimization -O0. No idea why at the moment