[gmx-users] Any chance to get mkl linked in 4.6.3 by any wizardry? (Linux/Intel64)

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Thu Jul 25 14:55:37 CEST 2013

On 25.07.2013 12:28, Mark Abraham wrote:
> What doesn't work about the install guide instructions: 'Using MKL
> with icc 11 or higher is very simple. Set up your compiler environment
> correctly, perhaps with a command like source /path/to/compilervars.sh
> intel64 (or consult your local documentation). Then set
> -DGMX_FFT_LIBRARY=mkl when you run CMake.'

Wow! I just checked this - and, what a nice surprise, it works.

Since when don't you have to specify any mkl library in order
to get the correct linking?

Thank you


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