compile nwchem-6-3 with openmpi1.6.5 & ifort


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OK, finally found the mistake and got it compiled.

I think I am getting closer to the final normally working version. The main problem now is following. When running it with openmpi (mpirun) it is almost 8 times slower on 8 cores comparing to running it on just one core which I find very strange. Any suggestions?