Hi Jason!
On Tue, May 4, 2010 at 01:09, Jason Swails <jason.swails.gmail.com> wrote:
>
> Something that may make compilation go along better, and is probably a
> better option if you plan on building other software packages, create a
> link
> to gcc-4 and g++-4 named gcc and g++, respectively, in /sw/bin, and make
> sure that is in your path before /usr/bin (so "gcc" and "g++" invokes the
> fink gcc-4 and g++-4 rather than the xcode tools version supplied in
> /usr/bin)
>
> You can do this with the commands:
> cd /sw/bin
> ln -s gcc-4 gcc
> ln -s g++-4 g++
>
> And in your .bashrc file put
>
> export PATH=/sw/bin\:$PATH
>
> This should prevent any user from having to modify the config.h file to get
> the right compilers invoked. It should also fix mpicc and mpif90/mpif77,
> since those are really only wrappers calling gcc and gfortran, anyway. I
> say this here because both methods result in a successfully built Amber11 I
> would imagine, but this method will probably be a more universal fix for
> other packages users may want to install (i.e. an older version of Amber,
> another MD package, or any other package someone wishes to build from
> source).
You're absolutely right here. I just want to remember why once discussing at
Fink list they decided to make gcc-4 instead of having Fink gcc overriding
Apple's gcc in the way you said... Need to check that again with them.
> > 2) AT 1.4 and Amber11 with Intel Compilers (v. 11.1.088)
> >
> > 2.1) With Amber's OMPI 1.4.1 script:
> > Apart some issues with tests in serial, the paralles versions of
> ptraj.MPI,
> > nab, sander.MPI, sander.LES.MPI and pmemd.MPI all failed to run with
> > something like:
>
> I do not get these errors with MacPorts GCC 4.4 installed alongside either
> OpenMPI 1.4.1 (compiled from source with a simple ./configure; make; make
> install) or MPICH2 1.2.1 (built the same way).
Just to be clear, the errors I get are with Intel Compilers and OMPI. With
Fink GCC 4.4 all fine with Fink OMPI 1.3.3. I didn't test with Amber's OMPI
1.4.1 script and Fink GCC but I would be confident that should work fine.
Thanks and all the best,
Alan
--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Tue May 04 2010 - 02:30:06 PDT
