Posted by Michal Pitonak on October 29, 2012 at 20:54:35:
In Reply to: Problem with CCSD in version 7.8 posted by Shachar Klaiman on September 06, 2012 at 15:58:24:
Hi,
could you please specify your compilation options?
Michal
: Hi,
: I have installed the new release, version 7.8, and all the tests that use CCSD (009,036,040) fail to reproduce the results (error roughly 1E-4).
: Has there been any change in the CCSD program that might cause this discrepancy?
: Thanks in advance,
: Shachar