Eigenvectors failed to converge in nwChem 6.8

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6:45:33 PM PDT - Wed, Jun 6th 2018
Quote:Agemuend Jun 1st 1:30 am Would maybe anyone else using NWChem 6.8 with Intel Compilers, Intel MPI and MKL be so kind as to test the above input file from the Wiki? I'm curious if this is something specific we are seeing. Here are the input and output files https://github.com/nwchemgit/nwchem/wiki/c240_631gs.nw https://github.com/nwchemgit/nwchem/wiki/c240_631gs.output