Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1


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Unfortunately, I have just realized that there was an issue in $NWCHEM_TOP/src/tools/GNUmakefile that was preventing ARMCI_NETWORK from being correctly recognized.
Therefore, I am not 100% sure that you last build did get SOCKETS in place (you can check it by analyzing tools/build/config.log)

Anyhow,
the patch is available at
http://nwchemgit.github.io/images/Armcisock.patch.gz

To install:
export ARMCI_NETWORK=SOCKETS
cd $NWCHEM_TOP/src
wget http://nwchemgit.github.io/images/Armcisock.patch.gz
gzip -d Armcisock.patch
patch -p0 < Armcisock.patch
cd tools
rm -rf build install
make
cd ..
make link


Thanks again for your valuable feedback