[gmx-users] Mac OS X with MKL

[Justin A. Lemkul]

Emily Curtis wrote:
> Hi.  I am also trying to build Gromacs with MKL on a Mac OS X.  I get the same error that you reported:
> 
> checking for mkl.h... yes
> checking for DftiComputeForward in -lmkl... no
> configure: error: Cannot find Intel Math Kernel Library >= 6.0
> 
> 
> Did you ever figure out how to fix this?  I would really appreciate your help.

I don't have much to contribute other than that this has been an issue for a 
long time apparently:

http://lists.gromacs.org/pipermail/gmx-users/2007-March/026158.html

Those are the only tips I could find in the archive.

Try using FFTW instead, maybe :)

-Justin

> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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