Public bug reported:
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
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current input line :
33: task dft property
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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
** Affects: nwchem (Ubuntu)
Importance: Undecided
Status: New
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https://bugs.launchpad.net/bugs/1675817
Title:
calculation terminates with an error
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