CCSDTLR Not Compiled Error in Example ccsdt polar small.nw


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Gets Around
I don't know why you are seeing the same error message. I compiled NWChem with CCSDTLR enabled and I am able to run the example. Of course I also enabled other non-standard features. I don't know if CCSDTLR depends on any of them, though I would expect it to be independent. Here are the extra features I enabled:

export MRCC_METHODS=y
export CCSDTQ=y
export CCSDTLR=y
export IPCCSD=y
export EACCSD=y


Based on my testing, you should actually be seeing a different error message, because the input file is incompatible with current NWChem. In tce_polar_ccsdt_small.nw you need to remove the line '2eorb' from the tce block. After that the job should at least run and terminate normally.