calculation terminates with an error

[Sergey Makarov]

1) Ubuntu 17.04 64 bit
2) nwchem 6.6+r27746-4 amd64
3) simple calculation: NMR spectrum of TMS
4) terminated with error:

  spcart_bra2etran: nbf_xj.ne.nbf_sj (xj-sj) = 5
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line :
    33: task dft property
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 This error has not yet been assigned to a category

Similar error (and a patch): http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id2109

[Michael Banck (mbanck)]

Can you still reproduce the error with 7.0 in 20.04 LTS?

Unfortunately, the NWChem forum seems gone, along with the patch, unless it got merged into the code since.