[gmx-users] question about installing gromacs on a mac
emilymariecurtis at gmail.com
Wed May 5 18:15:23 CEST 2010
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:*
*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.
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