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

From: Scott Brozell <sbrozell.rci.rutgers.edu>
Date: Tue, 8 Dec 2009 02:26:38 -0500

Hi,

amber11/src/blas
is from netlib. GOTO BLAS is a particular optimization of BLAS:
http://www.netlib.org/blas/faq.html
http://web.tacc.utexas.edu/~kgoto/

I started an Ubuntu howto page since I am supporting DOCK on Ubuntu.
I havent yet done any ambertools testing on ubuntu, but i shall soon.

Scott

On Mon, Dec 07, 2009 at 11:30:55PM -0500, Jason Swails wrote:
> 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...
>
> 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.
> >

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Received on Mon Dec 07 2009 - 23:30:02 PST
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