[gmx-users] Link to Intel MKL (fftw) via cmake options

Szilárd Páll szilard.pall at cbr.su.se
Tue Nov 1 14:13:20 CET 2011

Thanks for the feeback!

I suspect that either something is simply broken in CMake 2.8.3 or it
has "feature" which somehow conflicts with the way the "install-mdrun"
custom target is implemented.

Anyway, I think we can consider this as a pretty much confirmed bug.
Would you mind entering it as a bug in redmine.gromacs.org. I'll look
into the issue in the coming days.


On Sat, Oct 29, 2011 at 11:56 PM, Mirco Wahab
<mirco.wahab at chemie.tu-freiberg.de> wrote:
> On 24.10.2011 23:23, Szilárd Páll wrote:
>> I've just realized that both you and the similar report you linked to
>> were using CMake 2.8.3. If you don't succeed could you try another
>> CMake version?
> I could replicate the error with the simple cmake inviocation you proposed
> in your reply:
>> cmake ../gromacs-4.5.5 -DGMX_MPI=ON
>>  -DCMAKE_INSTALL_PREFIX=/tmp/gromacs-4.5 &&
>>    make mdrun -j4 &&  make install-mdrun
> This fails w/cmake 2.8.3 as before.
> Then, I installed cmake 2.8.6 on the same system, cleaned the
> build path and rerunned the build.
> Your suspicion was correct, *it now works* (w/2.8.6).
> So, 2.8.3 messes up the build process independend
> of the specific tool chain, maybe this could be
> added as a warning to the compilation instructions.
> BTW, I even managed to get an win64 (multithreaded,
> non-MPI) executeable displaying respectable performance
> by using  windows-cmake, visual studio 2010 SP1,
> visual studio sdk SP1 7.1/64, and Nasm-win.
> Thank you very much for your help.
> M.
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the www interface
> or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list