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?