NAN occurred in NWchem example simulation

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7:26:12 AM PDT - Mon, Sep 3rd 2012
Hi everyone, In NWChem examples, there is a MD job named crown.nw to perform thermodynamics integration. I run crown.nw job wtith my computer, but I got NAN in crown_ti.out file for Derivative Error term. What are reasons for this situation? Thank you in advance. Jingbo