On Mon, Mar 12, 2018, Ilyas Yildirim wrote:
>
> I have tried to compile the code in Windows 10/Cygwin.
Thanks for your comments. I'm thinking we may just disable the legacy
cygwin build, although I'm open to counter-arguments from people that
find cygwin useful.
I think(?) we have a working Windows build via cmake. You might try
this (probably in a fresh directory):
cd amber18
./configure_cmake --full-help
and follow the instructions. There is a -windows flag that will build
amber without needing cygwin. (There is also a -cygwin flag, but there
is a "TODO" comment in the script that indicates it hasn't been tested,
and is unlikely to work.) I think this is our best shot at having Windows
capability in the upcoming release. [Caveat: I've not tested these, and
the whole cmake system will probably need to be marked as "experimental"
at release time.]
>
>
> 1. The notes are still saying "amber 16" within at least the
> configure scripts. These should be changed to "amber 18".
Should be fixed in the next RC.
> 2. When one tries to compile the code using "./configure -cygwin
> --with-python /usr/bin/python gnu", cpptraj is being compiled using
> the following FLAGS: "LDFLAGS= -L/programs/amber18/lib -lnetcdf -lbz2
> -lz xdrfile/libxdrfile.a -static -lquadmath". This would not compile
> cpptraj except removing the "-static" option.
Noted.
> There is the WSL option of Windows 10, where one can
> have Ubuntu installed, but it is not as efficient as Cygwin as of
> now. It has some issues, which requires the developers of WSL to fix.
Do you know what causes the inefficiencies, or what the issues are? This
path appeared to work for me a while ago (compiled OK and passed the
tests--I didn't run any benchmarks.) If it is not a good way to go, we
should update the web pages.
> 4. The parallel installation yields errors in cpptraj:
>
> ./configure -cygwin -mpi --with-python /usr/bin/python gnu
>
>
> Configuring CPPTRAJ...
> CPPTRAJ configure failed. Check '/programs/amber18/AmberTools/src/cpptraj_config.log' for details.
> Configure failed due to the errors above!
>
> Error: MPI not currently supported on Windows.
>
> I am not sure why cpptraj would not compile with -mpi, but if that is
> the case the rest of the code should still compile with the -mpi option.
Agreed: the configure script itself needs to be told to skip cpptraj.
...thanks...dave
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Received on Mon Mar 12 2018 - 09:30:02 PDT
