[gmx-users] Mac OS X with MKL

Warner Yuen wyuen at apple.com
Tue Mar 6 08:04:28 CET 2007

Hi Gromacs folks,

I'm trying to build Gromacs with MKL on Mac OS X. I am running the  
configuration with:
./configure --prefix=/Users/wyuen/west/gromacs/gromacs_icc64 --enable- 
mpi --enable-float --with-fft=mkl

But I am getting the following error:

checking for mkl_dfti.h... yes
checking for DftiComputeForward in -lmkl... no
configure: error: Cannot find Intel Math Kernel Library >= 6.0

Does anyone know where or how to set things so it'll know where to  
find the libraries? BTW, it only found "mkl_dfti.h" because I altered  
the configure file.


Warner Yuen
Scientific Computing Consultant
Apple Computer
email: wyuen at apple.com
Tel: 408.718.2859
Fax: 408.715.0133

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