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

Xingcheng Lin linxingcheng50311 at gmail.com
Tue Jul 8 21:52:04 CEST 2014


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

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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