Hi everyone,
Yet more errors, round-off failures, and bugs have been fixed since our
last release candidate. My most recent tests show that everything builds
correctly and passes in both serial and parallel. So I've prepared what I
hope is our final release candidate before we officially release AmberTools
15.
So please download the latest release candidate:
http://ambermd.org/rc_downloads/AmberTools15.15apr15.tar.bz2
compile it, run the tests, and report your results on the Wiki. What we
really need tested:
- PGI compilers
- Testing *with* Amber 14
- Older GCC compilers (specifically 4.1.2 as is used in RHEL 5)
Thanks!
Jason
On Mon, Apr 6, 2015 at 3:33 PM, Jason Swails <jason.swails.gmail.com> wrote:
> Hello again,
>
> A number of minor test failures and a couple more significant bugs have
> been fixed since the last release candidate. So I've created a new one
> that you can download here:
>
> *http://ambermd.org/rc_downloads/ <http://ambermd.org/rc_downloads/>*
> AmberTools15.06apr15.tar.bz2
> <http://ambermd.org/rc_downloads/AmberTools15.06apr15.tar.bz2>
>
> Same general requests as last time: please test as much as you can. I'm
> hoping that we are nearing the final revisions, so it would be
> especially helpful if more people would download and test the code as
> well as report the results on the Wiki.
>
> The more people we can get to run the tests, the better our final
> version should be.
>
> Manual improvements (even just reports of parts that are unclear or
> misleading) are also appreciated (but please do not document stuff that
> will not be part of AmberTools 15 yet).
>
> Thanks,
> Jason
>
> On Tue, 2015-03-31 at 14:07 -0400, Jason Swails wrote:
> > Hi everyone,
> >
> >
> > We are nearing our targeted release date in April for AmberTools 15.
> > I've created the first release candidate that can be found
> > here: http://ambermd.org/rc_downloads/AmberTools15.31mar15.tar.bz2
> >
> >
> > Please download the release candidate and test it on as many platforms
> > (with as many compilers) as you have access to (it is not the same as
> > git). In particular, the compilers we purport to support are:
> >
> >
> > gnu (gcc, g++, gfortran)
> > intel (icc, icpc, ifort)
> > pgi (pgcc, pgCC, pgf90)
> > clang (clang, clang++, gfortran)
> >
> >
> > And some lesser-tested (and not-advertised) targets:
> >
> >
> > cray (cc, CC, ftn)
> > open64 (opencc, openCC, openf90)
> >
> >
> > We also want to make sure that AmberTools 15 works both with Amber 14
> > and as a standalone package, so if you can test AmberTools 15 both
> > with and without Amber 14, that would be great. And testing the MPI
> > and OpenMP parallel builds is appreciated as well.
> >
> >
> > So if you can, please download the tarball, build it with/without
> > Amber 14, with MPI and OpenMP, and post the results of the test suite
> > on the Amber
> > wiki: http://ambermd.org/pmwiki/index.php/Main/Amber15Test (if you
> > forget the password to edit, please feel free to contact me for it).
> >
> >
> > Thanks!
> > Jason
> >
> >
> > --
> > Jason M. Swails
> > BioMaPS,
> > Rutgers University
> > Postdoctoral Researcher
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Apr 15 2015 - 13:00:03 PDT
