Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc

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Forum Vet

11:55:22 AM PST - Mon, Nov 19th 2012
Alvyn, I had a look at some of the QM failures and they seem harmless to me. Some of the QMMM numbers are clear failures. Did you try to run the QMMM tutorial I sent you?