As promised, over the weekend, I played with Mojave, and seemed to have
some sucess. Three steps are different from previous versions of MacOSX:
---------------------------------------------------------------------------
1. As noted before (by Andrew Schaub), you need to get the headers in the
proper location. Try this:
sudo xcode-select --install (to get the command-line tool installed)
open /Library/Developer/CommandLineTools/Packages/macOS_SDK_headers_for_macOS_10.14.pkg
(to get headers in the expected locations)
For me, this gets rid of the "cannot compile C and Fortran together"
error at the configure stage.
---------------------------------------------------------------------------
2. For some reason, you have to tell the miniconda installation what
version of the OS you have:
export MACOSX_DEPLOYMENT_TARGET='10.14' (to get correct miniconda behavior)
For me, this gets rid of the "cannot find <include> file" error when
building parmed.
---------------------------------------------------------------------------
3. If you get "token not found errors" with -macAccelerate, try this:
sudo port install ld64 +ld64_xcode (this is specific to macports)
---------------------------------------------------------------------------
With these changes, the "standard" build (allowing the configure script
to download miniconda) worked for me. FWIW, I'm using gcc8.2 from
macports, and the corresponding openmpi (also from macports.) FWIW, I
also tried mpich from macports, but that failed: haven't had time to
investigate that yet.
./configure -macAccelerate gnu
make install
make test
./configure -mpi -macAccelerate gnu
make install
export DO_PARALLEL='mpirun -np 4'
make test
One remaining problem: test cases that exercise "ncdump" in parallel are
failing. Also, I don't have access to any Mac's with GPUs, so I haven't
done any testing of pmemd.cuda.
I'm guessing there will be more things to learn about Mojave, but I hope
this helps.
....dac
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Received on Mon Oct 15 2018 - 08:00:03 PDT
