Compiling NWChem 6.3 on BlueGene/Q


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Hi Edo

Thanks for looking into this. As far as I can see the only variables missing are those for using external BLAS libraries (BLASOPT, BLAS_LIB, BLAS_SIZE, USE_64TO32). Is it essential to use external BLAS on BGQ? We assumed it would be safer to start with the internal routines but perhaps that was a mistake.

Tom