(Solved) NMR: hnd rysnod: root not found

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Forum Vet

5:14:38 PM PDT - Thu, Jun 28th 2018
Raul You have uncovered a bug. A fix is now available in the master branch https://github.com/nwchemgit/nwchem/commit/7028160588eb8f7c8d463b928dfd14f4ba93fc64 Please keep in mind that once that new code is used (only of the old code fails), walltime will increase by a factor of 4x or more