From 433ff8c53099c40b175a72d672360239ebe0f47c Mon Sep 17 00:00:00 2001 From: Paolo Giannozzi Date: Fri, 29 Oct 2021 21:23:35 +0200 Subject: [PATCH] Added info on latest Mac hardware --- Doc/user_guide.tex | 38 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 38 insertions(+) diff --git a/Doc/user_guide.tex b/Doc/user_guide.tex index b6f1218f5..bf0341038 100644 --- a/Doc/user_guide.tex +++ b/Doc/user_guide.tex @@ -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+Current develop branch needed two changes: +\begin{enumerate} +\item The script external/devxlib/config/config.sub is outdated, +and needs to be adjusted to correctly parse the machine information.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 + +The script external/devxlib/config/config.sub is outdated, and needs to be adjusted to correctly parse the machine information.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 +