Linking NWChem against Intel's MKL

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10:20:41 AM PST - Fri, Jan 4th 2013
What about the ldd command, i.e. ldd $HOME/nwchem-6.1.1-src/bin/LINUX64/nwchem Does this show any mkl library? Quote:DouDou Jan 3rd 1:31 pm Thanks Huub and Edopra for your responses, 'nm $HOME/nwchem-6.1.1-src/bin/LINUX64/nwchem \| egrep mkl_ \| egrep dgemm' did not return, does that mean there are no MKL objects my NWChem binary? that is weird because in the link line the libraries are there. I don't really have to use MKL, I can use another set of optimized math libraries, which ones are the most popular/best tested for NWChem? Thanks again

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