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Re^4: Interpretation of CASSCF/XMCQDPT results

sanya
sanya@photonics.ru


On Fri Jan 13 '12 2:18am, Gena wrote
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>On Fri Jan 13 '12 1:49am, sanya wrote
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>>>
  • The beta version of Firefly v. 8.0.0 can run XMCQDPT2 in parallel.

    >>WOW!!!!!!!! Great! how can I activate this option?

    >XMCQDPT runs in parallel like any other job now, I guess. In my case I didn't need to modify anything (well, I deleted MKLNP=... option to avoid regression due to multithreading)

    Thank you. I'll try it ASAP


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