| 2:31:37 PM PST - Thu, Jan 3rd 2013 |
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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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