Hi everyone:
The third release candidate tarballs can be found here:
ambermd.org/downloads/AmberTools20.RC3.tar.bz2
ambermd.org/downloads/Amber20.RC3.tar.bz2
Note that the build instructions are different from earlier versions of
Amber, and even differ slightly from last week's RC2. Please read chapter
2 in the doc/Amber20.pdf file, and follow the instructions there. Most
users will no longer need to edit the "run_cmake" script, at least to
get a standard serial install.
Other changes from RC2 include new Gamd code, manual updates on protein force
field, a new section on GTI in pmemd.cuda, and fixes to some problems
that have been encountered.
You can report errors here (editing password is 'pakrules'):
ambermd.org/pmwiki/pmwiki.php/Main/Amber20Test
Try to be less verbose than in previous years. In particular, there is
little point in repeatedly posting similar problems (and there are
likely to be some....)
How to run the tests: Go to your installation directory, which defaults
to an amber20 folder parallel to the amber20_src folder that you un-tarred
the files into. Be sure to "source amber.sh", and run the following (as
appropriate):
make test.serial
make test.parallel
make test.cuda_serial
make test.cuda_parallel
Also: please review the doc/Amber20.pdf file, and look for things that can
be improved. Pay careful attention to the instructions about using cmake:
try to make sure that they are correct, complete, and make sense to those
who have never used cmake before.
...thx...dac
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Received on Fri Apr 17 2020 - 14:00:02 PDT
