[gmx-users] Cannot link to SIMD version when installing GMX4.6.6 on BG/P

[lina]

Hi,

Have you fixed the problem?

On BG/Q, Version  4.6.5.

Here, the /libmass_simd.a is under /opt/ibmcmp/xlmass/bg/7.3/bglib64
(it may different from yours).

During cmake I added

-DCMAKE_C_FLAGS="-O3 -L/opt/ibmcmp/xlmass/bg/7.3/bglib64 -lmass_simd"

It works on my side, you may do a check by yourself. Please also pay
attention to the compiler you use. XL is different.

Good luck,


On Wed, Jul 9, 2014 at 3:49 AM, Xingcheng Lin
<linxingcheng50311 at gmail.com> wrote:
> Hi,
>
> I have some problem installing GMX4.6.6 on BG/P, the error is as follows:
>
> -- Looking for atan2f4 in mass_simd
> -- Looking for atan2f4 in mass_simd - not found
> CMake Error at CMakeLists.txt:1082 (message):
>   Could not link to the SIMD version of the IBM MASS library.  Please adjust
>   your CMAKE_PREFIX_PATH to contain it
>
> The CMAKE_PREFIX_PATH I used is the prefix for fftw, as suggested from
> http://www.gromacs.org/Documentation/Installation_Instructions#bluegenep
>
> The website also suggests: "There is currently no SIMD support on this
> platform and no plans to add it. The default plain C kernels will work."
>
> It seems I should not include SIMD when compiling, but I am not pretty sure
> how to do that, -DGMX_SIMD=NONE doesn't help.
>
> Anyone knows how to do that?
> --
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