Compiling NWChem 6.1 on Rocks Cluster 6.0

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Forum Vet

10:56:50 AM PST - Mon, Nov 5th 2012
Thanks for the feedback. That's consistent with my findings. The culprint was the routine src/nwdft/xc/xc_vdw.F This routine was modified and is now compiled in a different way in 6.1.1. Please stick to 6.1.1 Cheers, Edo