Re: [AMBER-Developers] Release candidate 3 for AmberTools 15

From: Pengfei Li <ldsoar1990.gmail.com>
Date: Fri, 17 Apr 2015 10:14:53 -0400

Hi Jason,

What is the password of that webpage? Thanks!

All the best,
Pengfei

On Apr 15, 2015, at 6:44 PM, Jason Swails <jason.swails.gmail.com> wrote:

> Hai pointed out a problem with GCC 4.1.2 compatibility that I just fixed.
> The RC download has been updated and the md5sum is
> c3137b9cd75772521b51b728e132f6c0
>
> If you have already downloaded the last copy, the only difference is in
> AmberTools/src/sander/ncsu-cv-MULTI-RMSD.F90 where I changed __GFORTRAN to
> __GFORTRAN__.
>
> Sorry for the inconvenience,
> Jason
>
> On Wed, Apr 15, 2015 at 3:46 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
>> 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
>>
>
>
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers


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Received on Fri Apr 17 2015 - 07:30:04 PDT
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