[molpro-user] Another GETMEM Error

Michael Morris morrismichael at gmail.com
Mon Aug 13 09:40:21 BST 2012


Dear Molpro Users,

In a similar manner to
http://www.molpro.net/pipermail/molpro-user/2011-October/004672.html I'm
having an error that goes as "No memory left in getmem. Have: 5199663 Need:
9585457 GETMEM ERROR IN GETMEM k2 ALLO" etc. I tried the solution posted
there, but to no avail. The problem does not arise when I use a 5Z basis
set (or smaller basis sets, for that matter). Any thoughts? The input file
is posted below.

Kind Regards,
Michael Morris

---------------------

R=1.000 ANG
THETA=104.00
GEOMETRY={O;
          H1,O,R;
          H2,O,R,H1,THETA;
}
BASIS=AUG-CC-PV6Z
HF
CASSCF
{MRCI;
CORE}
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