[gmx-users] question about installing gromacs on a mac

[Emily Curtis]

I apologize in advance if this is a very stupid question.  I am trying to
configure GROMACS on a mac.  I have the intel MKL installed.

*When I type the following:*

./configure --with-fft=mkl
CPPFLAGS="-I/Developer/opt/intel/Compiler/11.1/067/Frameworks/mkl/include"
LDFLAGS="-L/Developer/opt/intel/Compiler/11.1/067/Frameworks/mkl/lib"

*I get the following error message (I am only including the last few lines):
*
*
*
*
checking for special C compiler options needed for large files... no
checking for _FILE_OFFSET_BITS value needed for large files... no
checking for _LARGEFILE_SOURCE value needed for large files... no
checking for sqrt in -lm... yes
checking for mkl.h... yes
checking for DftiComputeForward in -lmkl... no
configure: error: Cannot find Intel Math Kernel Library >= 6.0
*


I don't understand why it is not finding my Math Kernal Library.  I also do
not understand what DftiComputeForward it is looking for.  Do you think I am
simply pointing it to the wrong directory?  I would really appreciate any
help or suggestions.

Emily
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