Hi everyone:
1. The second release candidate for AmberTools17 is here:
http://ambermd.org/downloads/AmberTools17.02apr17.tar.bz2
This *should* be the same as what is in the amber17-with-patches branch
at git.ambermd.org. But use the tarball for testing, since that is
what users will actually download.
2. Once we are ready to release, the "update_amber --upgrade" script will
be functional, but this is not ready yet for testing.
3. Please post testing results here, indicating that you are using the
"02apr17" tarball:
http://ambermd.org/pmwiki/pmwiki.php/Main/AmberTools17Test
It would be helpful for someone to try Intel compilers without MKL
(neither setting MKL_HOME nor using the -mkl flag.)
Not sure what we should do with all the PGI errors. Two questions:
a. do the pmemd tests pass with PGI compilers?
b. what are the arguments in favor of continuing to support PGI?
e.g.: some machines have only those compilers(?)
better performance for cpptraj and/or pmemd(?)
something else?
...thx...dac
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Received on Mon Apr 03 2017 - 08:30:03 PDT
