Odd correlation energies for RI-MP2 calculations

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12:03:44 PM PST - Fri, Jan 14th 2011

Update:

I ran two different jobs using nwchem6.0.

1) 48 procs, default memory. Relevant output:

 Transformation block size  153, requiring     2 integral passes.
 Energy evaluation using block sizes   163    1

          -------------------------------------------
          SCF energy               -2555.440664736892
          Correlation energy          -5.696277322716
          Total MP2 energy         -2561.136942059608
          -------------------------------------------