Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly  
We are NATO-free zone

Re^4: Interpretation of CASSCF/XMCQDPT results


On Fri Jan 13 '12 2:18am, Gena wrote
>On Fri Jan 13 '12 1:49am, sanya wrote
  • 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

    [ Previous ] [ Next ] [ Index ]           Fri Jan 13 '12 4:14am
    [ Reply ] [ Edit ] [ Delete ]           This message read 729 times