Compiling NWChem 6.3 on BlueGene/Q


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Just a comment. We have had problems in the past with the internal libraries and linkers that found something else. On the link line the internal libraries are specified as -lblas -llapack etc. In some cases this led the linker to find system BLAS and LAPACK libraries rather than the ones we ship with the code. If that happens that does indeed lead to compatibility problems.