[AMBER-Developers] Amber development news, August 2018

From: David A Case <david.case.rutgers.edu>
Date: Tue, 14 Aug 2018 11:45:00 -0400

Hi everyone: a number of issues are discussed below.

1. Everyone should be moving development to gitlab.ambermd.org. See
http://ambermd.org/pmwiki/pmwiki.php/Main/Git for instructions. If you
are not yet a gitlab user, send an email to dac containing your email,
and attach your ssh public key (*or* indicate that I can use your key
from gitosis).

2. The server at gitosis.ambermd.org has been read-only for quite some
time, and will go offline on Aug. 21. If you have feature branches
there that you need to keep, make copies now. [Note: no files will be
deleted, so you can request access later if you need to; but you should
not count on this.]

3. It is important that you learn how to make merge requests at
gitlab, and do so on a regular basis. Problems are always created (and
were quite bad in 2018) if people keep their code in-house until a few
weeks before a release date, then try to merge things at that point.
Not only does a lot of chaos ensue, but *no one else is testing code that
you keep to yourself.*

4. We (mainly Dave Cerutti and Taisung Lee) are prepaing a important
patch to pmemd.cuda, that both fixes some bugs (especially for large
systems) and offers some performance enhancements. If you are regularly
using pmemd.cuda, consider checking out the "lbsr-dac" branch at gitlab,
and building pmemd.cuda from that. The performance enhancements are
turned off by default, so this should just be a drop-in replacement for
the pmemd.cuda in Amber18. Info on performance tweaks will follow in a
separate email, and will also be posted on the Amber web site when the
update goes "live".

5. We need to start thinking about a time/place for the 2019 Amber
Developers' Meeting. Suggestions and volunteers to host are welcome.

...thx....dac


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Received on Tue Aug 14 2018 - 09:00:02 PDT
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