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

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 11 Nov 2010 11:23:50 -0600

On Thu, Nov 11, 2010 at 10:42 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> If you're using a custom GCC and the libraries and include files are
> in non-standard locations you may need to adjust your environment
> variables CPATH and LD_LIBRARY_PATH (or maybe it's DYLD_LIBRARY_PATH
>

I've seen/used both on a Mac, with equivalent results... I don't know if LD
is strictly for static libraries (in which case, don't use it for Macs)...
There is also a LIBRARY_PATH that is used in some instances, not sure when.
However, it's disconcerting that the package can't find standard GCC libs.
I've never had that problem regardless of where I get GCC from.

I'd still be wary using GCC 4.6.0. I had problems with 4.5 when it was
experimental and had to abandon hpc.sourceforge's snow leopard gnu
compilers.


> on Macs) to include the $GCCDIR/include and $GCCDIR/lib directories
> respectively (where $GCCDIR is the directory of the custom GCC
> install).
>
> Mac users feel free to correct me if I'm mistaken.
>
> -Dan
>
> On Thu, Nov 11, 2010 at 11:19 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
> >
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Nov 11 2010 - 09:30:05 PST
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