Re: [AMBER] Compiling Ambertools 1.4 on MacBook SnowLeopard10.6.4

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 11 Nov 2010 10:36:37 -0600

Hi Dean,

I'm guessing this is the "hpc.sourceforge" site, and for some reason it
looks like they like to have only the bleeding-edge version of any GCC
compiler on there. Last time I tried downloading from there, it was 4.5,
experimental, now 4.5 is official release and 4.6 is experimental. I would
avoid using these compilers, as they're most likely to be buggy over
official releases.

My far more preferred method is using MacPorts, which in my experience has
caught up to advances in Snow Leopard much more than alternatives (i.e.
Fink). Download MacPorts and install a GCC from there. I currently have
4.3 through 4.6 installed, but 4.4 seems to work the best for me.

sudo port -v install gcc44
sudo port -v install gcc_select
sudo gcc_select gcc-mp-4.4

The above commands should install GCC 4.4.5, install a selection utility
that makes selecting a version of GCC compilers very easy, then using that
utility to select your newly installed GCC. These are native x86_64
binaries, unlike Fink's versions that I've seen (which are i386, but can
build x86_64 objects if explicitly passed -m64).

Then you should be ready to build without hiccups.

Hope this helps,
Jason

On Thu, Nov 11, 2010 at 10:19 AM, Dean Cuebas
<deancuebas.missouristate.edu>wrote:

> Dear users,
>
> I've tried to install Ambertools1.4 and have a compiler problem.
> I followed the instructions on amberonmac.blogspot.com SATURDAY, MAY 15,
> 2010 post.
>
>
> 1) Dowloaded and installed gcc-snwleo-intel-bin.tar.gz
> 2) type gcc -v and I get:
> ++++++++++++++++++++++++
> Using built-in specs.
> COLLECT_GCC=gcc
>
> COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin10/4.6.0/lto-w
> rapper
> Target: x86_64-apple-darwin10
> Configured with: ../gcc-4.6-20100703/configure
> --enable-languages=fortran,c++ --host=x86_64-apple-darwin10
> --build=x86_64-apple-darwin10
> Thread model: posix
> gcc version 4.6.0 20100703 (experimental) (GCC)
> ++++++++++++++++++++++++++++++++++
> Which is a higher version of gcc than in the amberonmac demo.
>
> 3) Type gfortran -v and I get:
>
> +++++++++++++++++++++++++++++
> Using built-in specs.
> COLLECT_GCC=gfortran
>
> COLLECT_LTO_WRAPPER=/usr/local/libexec/gcc/x86_64-apple-darwin10/4.6.0/lto-w
> rapper
> Target: x86_64-apple-darwin10
> Configured with: ../gcc-4.6-20100703/configure
> --enable-languages=fortran,c++ --host=x86_64-apple-darwin10
> --build=x86_64-apple-darwin10
> Thread model: posix
> gcc version 4.6.0 20100703 (experimental) (GCC)
> ++++++++++++++++++++++++++++++++++++
>
> 4) I cd to the src directory of Ambertools and type
> ./configure -macAccelerate gnu
>
> +++++++++++++++++++++++++++++++++++++++++++++
> Your AMBERHOME environment variable should be set to /usr/local/amber11
>
>
> Obtaining the gnu suite version:
> gcc -v
> The version is 4.6.0
>
> Testing the gcc compiler:
> gcc -DUSE_AMBER_C9XCOMPLEX -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> -o testp testp.c
> testp.c:1:19: fatal error: stdio.h: No such file or directory
> compilation terminated.
> ./configure: line 967: ./testp: No such file or directory
> Error: Unable to compile a C program using gcc -DUSE_AMBER_C9XCOMPLEX
> -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE
> Please check your compiler settings or configure flags.
> ++++++++++++++++++++++++++++++++++++++++++++++
>
> Any help would be appreciated!
>
> Thanks in advance.
>
> Dean
> --
> Dr. Dean Cuebas, Associate Prof of Chemistry
> deancuebas.missouristate.edu, Ph 417-836-8567 FAX 417-836-5507
> Dept. of Chemistry, Missouri State University
> Springfield, Missouri 65897
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 11 2010 - 09:00:05 PST
Custom Search