Re: [AMBER-Developers] latest release candidate for AmberTools 1.3

From: Jason Swails <jason.swails.gmail.com>
Date: Mon, 7 Dec 2009 23:30:55 -0500

I'm sorry, I thought the blas included was goto, which is what I was
using... is this not the case? I'm not sure what else to use besides the
included blas...

As for my gfortran, I downloaded it from hpc.sourceforge.net, the snwleo
gfortran binary. I have seen at least one compiler error (compiling
pbforce.f in sander). If there's a different binary you think I should try,
I'll give it a shot.

And Ray, are you going to upload the changes to the release tree? I'll
rerun those tests again when the new version comes out and see how many of
them are fixed.

Thanks!
Jason

On Mon, Dec 7, 2009 at 10:02 PM, case <case.biomaps.rutgers.edu> wrote:

> On Mon, Dec 07, 2009, Jason Swails wrote:
> >
> > 4. Mac OS X 10.6.2, gcc 4.2.1 gfortran 4.5.0, goto
>
> Could you leave out the goto part here? I get everything to work with what
> is nominally the same OS and compilers, although it would be of interest to
> know where you obtained your gfortran.
>
> >
> >
> > On a side note, there has been a decent amount of discussion on the Amber
> > mailing list with users having trouble compiling and running Amber on
> > Ubuntu, and since it's a fairly popular distro due to its ease of use it
> may
> > be helpful to keep a list of common pitfalls users run into (like not
> having
> > csh installed by default) and which packages to install (apt-get) to fix
> > it. The same could probably be said for Macs, especially with the
> > architecture problems snow leopard so generously introduced. Since a
> large
> > fraction of Amber users likely fall into one of the categories above,
> > perhaps it would be useful to have some place where developers (and
> users?)
> > could list easy fixes to common problems associated with these two
> platforms
> > so issues don't continue to periodically circulate on the reflector.
> What
> > do others think?
>
> We have "Compiling Amber on xxxx" sections on the web page, which seems to
> be
> the proper place to me. But most of these have not been updated for some
> time.
>
> ...dac
>
>
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> AMBER-Developers.ambermd.org
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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 Mon Dec 07 2009 - 21:00:02 PST
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