[AMBER-Developers] Amber18/AmberTools18 release candidate 1

From: David A Case <david.case.rutgers.edu>
Date: Fri, 9 Mar 2018 22:00:30 -0500

Hi everyone:

You can get the first release candidate (RC1) tarballs here:

   ambermd.org/downloads/AmberTools18.09mar18.tar.bz2.iwejur
   ambermd.org/downloads/Amber18.09mar18.tar.bz2.iwejur

Strip off the final suffix, untar and test.

You can see test summaries here:

   ambermd.org/pmwiki/pmwiki.php/Main/Amber18Test

Go ahead and add your own (editing password is "pakrules").

Notes:

1. It is these tarballs, not anything in git, that users will get. In
particular, there are quite a few files that exist in the git repo, but
are not distributed to users. So: use these for testing. Of course,
fixes have to be contributed back to the master branch at git.ambermd.org.

2. I'm trying to get a feeling here of how much "whack-a-mole" we have
to do to get the test cases to look good. People that have access
to Intel or PGI compilers should chime in, but don't go overboard (for now)
in running parallel tests with all possible numbers of threads.

3. We need people familiar with cuda to run and interpret tests there.

4. Right now, I am focussing on the legacy Makefile build system. If
you see cmake-specific problems, please post those comments here:

    github.com/Amber-MD/cmake-buildscripts/issues/108


...thanks!...dac


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Received on Fri Mar 09 2018 - 19:30:02 PST
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