| 8:48:48 PM PST - Mon, Jan 14th 2019 |
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I have tried one example from GAMESS using NWCHEM, i.e., the energy of F2 at twice equilibrium.
It seems NWCHEM6.8 CCSDT calculation of F2 at twice equilibrium cannot converge, although I have not wait for the error signal to appear.
The precompiled GAMESS binary coupled cluster calculation with singles, doubles and active space triples has been successful on macOS, although with
Note: The following floating-point exceptions are signalling: IEEE_UNDERFLOW_FLAG IEEE_DENORMAL
But
ddikick.x: exited gracefully.
The results using the precompiled GAMESS binary on macOS got the same results as those in the authors' article indexed in the example.
Very Best Regards!
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