Hi everyone:
You can get the fourth (and final) release candidate here:
https://ambermd.org/downloads/AmberTools21.RC4.tar.bz2
Things that are still on my radar:
* Some make users may end up with a non-working NAB compiler; we can
post a workaround on the website for this
* The conda package also has a non-working NAB compiler. This has been
true since the release of AmberTools20, and no one has complained.
* There are a number of glitches with reaxff-puremd. I can't get it to
build on OSX, and that failure in turn breaks cpptraj; it won't build
at all if one asks for parallel or cuda capability. Reaxff is disabled
by default, so we can probably post bugfixes to correct these problems
before we get many complaints.
There is not much testing left to do, and RC4 is very little different
from RC3. What we still need:
* A few more people with Mac's to try things out. Jenkins doesn't test
OSX any more, and only three users have posted OSX results on the wiki
page. If you use OSX in your work (or some student does), see if they
can see what, if anything, is broken
* More people to test on CUDA. In addition to just running the test cases,
please try a short run on some real project that you are working with,
and compare results to existing codes.
* We also need more attention paid to the Reference Manual.
Results at any time are welcome, but only items that are reported by Tuesday
will have any influence on the release.
As before, please report results and problems here:
https://ambermd.org/pmwiki/pmwiki.php/Main/AmberTools21Test
...thx...dac
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Received on Sun Apr 25 2021 - 06:30:03 PDT
