AMBER Archive (2009)

Subject: Re: [AMBER] installation of Amber on OSX

From: Jason Swails (jason.swails_at_gmail.com)
Date: Wed Oct 14 2009 - 17:41:31 CDT

gfortran creates faster executables than g95, but has more bugs as well.
gfortran also claims to be Fortran77 compatible, whereas g95 is compatible
with fortran77 code that is also fortran95 (and 03). There is plenty of
documentation online describing the differences, and it's certainly not bad
to have both compilers, but unless you have a specific reason for using g95,
I would suggest installing gfortran and using that compiler for amber due to
Professor Case's suggestion. Pre-built binaries of gfortran also install
directly into your path (or should. you may have to add /usr/local/bin to
your path if you haven't already), so it may be easier to 'install and go'
if you're not too keen on modifying your environment variables.

All the best,
Jason

On Wed, Oct 14, 2009 at 6:10 PM, case <case_at_biomaps.rutgers.edu> wrote:

> On Wed, Oct 14, 2009, Ramgopal Mettu wrote:
> >
> > Testing the Fortran compiler:
> > g95 -O0 -fno-second-underscore -o testp testp.f
> > g95: installation problem, cannot exec 'f951': No such file or directory
> > ./configure_amber: line 1169: ./testp: No such file or directory
>
> As has already been mentioned, this error has nothing to do with Amber.
> The testp.f is just an elementary Fortran file, and you need to check your
> g95
> installation. To me, it sounds like more than a path problem, but I can't
> be
> sure.
>
> However, I will also point out that we don't test much with g95 anymore,
> using
> gfortran instead. So you might want to consider that route as well.
>
> ...dac
>
>
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> 

-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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