Compiling with GotoBLAS2


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3:04:30 PM PST - Mon, Jan 30th 2012
Thanks,
Dear Edoardo,

Thank you; I've compiled NWChem specifying the 64bit pointers explicitly in MKL, as follows:

export BLASOPT="-L$MKLROOT/lib/intel64 -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lpthread -lm"

And it seems to work now. Previously, I let the compiler choose with simple -mkl switch, and it perhaps picked the 32bit ones.

--
Grigory Shamov