Re: [AMBER] help for the installation of Ambertools 17 on Mac

From: Andrew Schaub <>
Date: Mon, 16 Oct 2017 14:42:49 -0700

I just installed AmberTools 17 on a fresh install of High Sierra MacOS
10.13. So this information might be of use to you. gcc49 is not available
on macports, so I opted for *gcc5*. I had no issues, and both installed and
were able to be selected:

sudo port install gcc5
sudo port install mpich-gcc5
sudo port select --set gcc mp-gcc5
sudo port select --set mpi mpich-gcc5-fortran

# Installed serial amber first to test
./configure gnu
make install
make test

# Installed mpi version with mac accelerate
./configure -macAccelerate -mpi gnu
make install
export DO_PARALLEL='mpirun -np 2'
make test.parallel
export DO_PARALLEL='mpirun -np 4'
make test.parallel

This installed fine for me. I had to use clang with the previous version of
AmberTools like 6 months ago, but gnu appears to work fine on AT 17 and on
newer versions of MacOS.

On Fri, Oct 13, 2017 at 5:08 AM, David A Case <>
> On Fri, Oct 13, 2017, huangwc8 wrote:
> >
> > I am trying to install Ambertools 17 onto Macbook Sierra 10.12
> >
> > The Fortran version is 配置為:../gcc-6.3.0/configure
> > 6.3.0
> What is the result of typing "which gfortran" at the command prompt?
> > Error: Unable to compile mixed C/Fortran code.
> > Please check your compiler settings and configure flags.
> I suspect that you are not using one of the "magic" versions of gfortran
> that works with clang.
> Since you have compilers installed via macports, I'd recommend configuring
> with "gnu" rather than "clang" as the compiler option. (Avoid using
> gcc7 if you can.)
> ...good luck....dac
> _______________________________________________
> AMBER mailing list

Andrew Schaub
Graduate Program in Chemical & Structural Biology
Tsai Lab, http:///
Luo Lab,
University of California, Irvine
Irvine, CA 92697-2280
949-824-8829 (lab)
949-877-9380 (cell)
AMBER mailing list
Received on Mon Oct 16 2017 - 15:00:03 PDT
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