Profiling Nwchem 6.8 (with score-p)


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The NWChem 6.8.1-scorep release is now available. This is a maintenance release that contains fixes to allow the NWChem 6.8.1 release to work with the Score-P measurement infrastructure

The command to compile on GNU compilers is

make FC="scorep-gfortran" _FC=gfortran CC=scorep-gcc _CC=gcc

https://github.com/nwchemgit/nwchem/releases/tag/6.8.1-scorep