How to do BCCD(T) computation in NWChem?


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Gets Around
If nwchem is not found on your path, are you supplying an absolute path when you run it? What do you actually type in the shell to run a calculation?

My suspicion is that somehow the machine may be invoking a different version of NWChem that was not compiled with MRCC support, instead of the MRCC-enabled version that you just compiled. That would explain why the bwccsd directive is not understood by the NWChem program that is running.