Error compiling NWChem 6.8 on Titan


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Forum Vet
Shirley
Your failure were likely due to some bug fixes needed to compiler GA with PGI compilers.

Please switch to the hotfix/release-6-8 branch.

Here are the instructions for checking out the hotfix/release-6-8 branch

git clone -b hotfix/release-6-8 https://github.com/nwchemgit/nwchem.git nwchem-6.8.1

Please remember to put set the NWCHEM_TOP env. variable, with the directory name ending in nwchem-6.8.1