NWChem 6.6 for BlueGene/Q


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patches available
The following patch should fix your ga_orthog failure

https://nwchemgit.github.io/download.php?f=Util_gnumakefile.patch.gz

To apply
cd $NWCHEM_TOP
wget -O Util_gnumakefile.patch.gz https://nwchemgit.github.io/download.php?f=Util_gnumakefile.patch.gz
gzip -d Util_gnumakefile.patch.gz
patch -p0 < Util_gnumakefile.patch
cd src/util
make 64_to_32
make
cd ..
make link

Please execute all the steps in order listed and do not skip any of them.
Let me how it goes