Re: [AMBER-Developers] Release candidate 3 for Amber20/AmberTools20

From: Gerald Monard <>
Date: Tue, 21 Apr 2020 23:08:27 +0200


IMHO, for most of the OS's down there, the best is to download the
latest cmake release from Many OS's don't have a
correct version in their repo and if you install it with pip or conda,
you can end up with some library conflicts (see issue #119).

I'll provide a new version of Installation.php for the web site asap.



On 4/21/20 20:22, Daniel Roe wrote:
> I'm late to the party here but trying to test now.
> One thing that might be useful off the bat though is to add a note in
> the manual telling users to make sure their CMAKE version is up to
> date. There's a specific recommendation on the quick install webpage
> ( but
> nothing in the manual. We wouldn't have to put a specific version in
> the manual, but a note like "Please make sure you have at least the
> minimum version of cmake recommended here <insert URL>" etc.
> I'll work on tests in the meantime.
> -Dan
> On Fri, Apr 17, 2020 at 4:33 PM David A Case <> wrote:
>> Hi everyone:
>> The third release candidate tarballs can be found here:
>> Note that the build instructions are different from earlier versions of
>> Amber, and even differ slightly from last week's RC2. Please read chapter
>> 2 in the doc/Amber20.pdf file, and follow the instructions there. Most
>> users will no longer need to edit the "run_cmake" script, at least to
>> get a standard serial install.
>> Other changes from RC2 include new Gamd code, manual updates on protein force
>> field, a new section on GTI in pmemd.cuda, and fixes to some problems
>> that have been encountered.
>> You can report errors here (editing password is 'pakrules'):
>> Try to be less verbose than in previous years. In particular, there is
>> little point in repeatedly posting similar problems (and there are
>> likely to be some....)
>> How to run the tests: Go to your installation directory, which defaults
>> to an amber20 folder parallel to the amber20_src folder that you un-tarred
>> the files into. Be sure to "source", and run the following (as
>> appropriate):
>> make test.serial
>> make test.parallel
>> make test.cuda_serial
>> make test.cuda_parallel
>> Also: please review the doc/Amber20.pdf file, and look for things that can
>> be improved. Pay careful attention to the instructions about using cmake:
>> try to make sure that they are correct, complete, and make sense to those
>> who have never used cmake before.
>> ...thx...dac
>> _______________________________________________
>> AMBER-Developers mailing list
> _______________________________________________
> AMBER-Developers mailing list

  Prof. Gerald MONARD
  Directeur du mésocentre EXPLOR
  Université de Lorraine
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Received on Tue Apr 21 2020 - 14:30:01 PDT
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