[gmx-users] Link to Intel MKL (fftw) via cmake options
szilard.pall at cbr.su.se
Tue Nov 1 14:16:14 CET 2011
On Mon, Oct 31, 2011 at 1:06 PM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> On 30/10/2011 8:56 AM, Mirco Wahab 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.
> Thanks for the report. We actually do have a warning against 2.8.3 here
> http://www.gromacs.org/Developer_Zone/Cmake but I don't know if it is the
> origin of your issue.
That bug is related to ASM compiler detection which should have
nothing to do with this issue.
>> 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.
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