Gaussian orbital dft in Nwchem 6.3
Click here for full thread
Forum Vet
5:30:49 PM PDT - Wed, Jun 19th 2013
Can you provide information on how you compiled? I.e., please send us the environment variables you set, and libraries you linked in. We've seen this error when there is ambiguity with respect to integer*4 and integer*8 in the math libraries.