QA tests and verification for nwchem 6.5 and hess/vib modules


Click here for full thread
Forum Vet
4:09:20 PM PDT - Mon, Sep 22nd 2014
Here is the fix for the Intel 14.0.2 SegV you reported

cd $NWCHEM_TOP/src
wget http://nwchemgit.github.io/images/Hbar.patch.gz
gzip -d Hbar.patch
patch -p0 < Hbar.patch
cd tce
make FC=ifort
cd ..
make FC=ifort link

Thanks again for the detailed and useful bug report