Hi everyone:
The sixth release candidate tarballs can be found here:
ambermd.org/downloads/AmberTools20.RC6.tar.bz2
ambermd.org/downloads/Amber20.RC6.tar.bz2
Again, apologies for the problems that arose with RC5, but we did learn
a number of things. I've tested RC6 on OSX (serial), Ubuntu (serial,
parallel and cuda serial). But most of you don't need to to much more
testing here. Gerald wins more gold stars than usual, and will find out
what happens on about a dozen Linux distros. Beyond that, we just need:
1. Some MacOSX results. Note that you need to have cmake in your PATH.
If you are using a package manager like macports (etc.) you can use
that. For most people, the simplest approach is to download from
cmake.org. Install, and then do something like this:
export PATH="/Applications/CMake.app/Contents/bin":"$PATH"
2. Testing with Intel compilers. It appears that version 19.x is mostly
working fine -- we know that mpinab will not (currently) work with the
intel compilers. We'll just have to live with that. I'm less sure
about Intel version 17.x.
3. Some testing of pmemd.cuda.MPI would be good -- requires someone who
knows what to expect, and what is important.
...thanks again....dac
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Received on Thu Apr 30 2020 - 14:30:02 PDT
