[molpro-user] 32 active orbitals issue

[Evgeniy Gromov]

Dear Developers and Users of Molpro,

I wonder if the latest molpro version (2012.1) is completely "free"
from the restriction for the number of active orbitals (32 in the case
of 64-bit machines) or this restriction still persists for some
methods? In particular I am interested in CASPT2. RS2 stopped with
the error message:
TOO MANY ACTIVE ORBITALS:123 THIS VERSION ALLOWS 32

RS2C however crashed with some unclear diagnostic:

Ipointer.ne.IlenH in BuildHD1d   2   0


(In all calculations the number of "active" orbitals is larger than 32.)

I wonder if someone knows about (can comment on) this issue.
Many thanks!

Best regards,
Evgeniy

-- 
_______________________________________
Dr. Evgeniy Gromov
Theoretische Chemie
Physikalisch-Chemisches Institut
Im Neuenheimer Feld 229
D-69120 Heidelberg
Germany

Telefon: +49/(0)6221/545263
Fax: +49/(0)6221/545221
E-mail: evgeniy at pci.uni-heidelberg.de
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