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

From: Daniel Roe <>
Date: Tue, 21 Apr 2020 14:22:53 -0400

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.


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
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Received on Tue Apr 21 2020 - 11:30:02 PDT
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