Hi everyone:
You can get the second release candidate (RC2) tarballs here:
ambermd.org/downloads/AmberTools18.16mar18.tar.bz2.iwejus
ambermd.org/downloads/Amber18.16mar18.tar.bz2.iwejus
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. There *should* be fewer test failures here, and we now should also
have the final version of the pmemd.cuda code. The manual has progessed
a fair amount since RC1, but now is the time to give this your most
careful attention!
3. We need people familiar with cuda to run and interpret tests there.
In particular, someone (Dan, Charles?) needs to use the -afe option to
configure. If you have Volta cards, please also try the -volta option.
Re-running serial and parallel CPU tests is less urgent right now, so
don't feel obligated to spend time on that, especially if you have been
one of the people (thanks!) who reported test results for RC1.
4. Right now, I am focussing on the legacy Makefile build system. But
I encourage you to test the CMake build. Do this:
cd amber18 # where you untarred stuff
./configure_cmake --full-help
Then pick the options you want.
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 Sat Mar 17 2018 - 07:00:02 PDT
