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 pmThanks 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 |