warning:::::::::::::: from_compile
NWCHEM_BASIS_LIBRARY is: </Users/d3p852/Documents/nwchem-6.0/src/basis/libraries/>
but file does not exist or you do not have access to it !
Summary of "ao basis" -> "" (cartesian)
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Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
* 3-21G on all atoms
NWChem DFT Module
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total energy of benzene, B3LYP/3-21G
Attempting to read a basis set from a non-existing file:
/Users/d3p852/Documents/nwchem-6.0/src/basis/libraries/3-21g
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bas_tag_lib: failed opening basis file 0
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current input line :
30: task dft energy
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There is an error in the specified basis set
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[/quote]
Those paths are definitely not the ones on this machine, and the correct ones were set in the .nwchemrc file. I was thinking this might simply be because I have .nwchemrc in the wrong directory (Applications/nwchem-6.0-binary/etc rather than ./bin). But I'd thought I'd ask in case there might be some other reason.