Compile NWChem with Intel 2017 (MPI + MKL)

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Forum Vet

9:38:31 AM PDT - Fri, Jun 23rd 2017
My suggestions are the following 1) Apply all the patches listed at http://nwchemgit.github.io/index.php/Download#Patches_for_the_27746_revision_of_NWChem_6.6 2) Recompile from scratch (that is after typing "make clean") without redefining FOPTIMIZE and CC. In other words, just type make FC=ifort