Molcas parallel implentation. Some doubts


[ Molcas user's WWWBoard ]

Posted by Javier on June 18, 2009 at 11:57:38:

I have some doubts about running Molcas in parallel mode:

I have read that RASSCF and CASPT2 are not very "parallel", but, is there any improvements with the last molcas version (7.4)?

Can a parallel environment help in the case of a RASSCF and/or CASPT2 multistate calculation?

In SEWARD, can the Cholesky decomposition affect the performance of a parallel running?





Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]