[molpro-user] Another GETMEM Error

[Andy May]

Michael,

The seward_mem directive tells Molpro to allocate a certain amount of 
memory to the seward program, but this will only work if Molpro has this 
amount of memory left to pass on. Try adding to the top of your input file:

memory,20,m
set,seward_mem=3000000

to see if this helps.

Best wishes,

Andy

On 13/08/12 09:40, Michael Morris wrote:
> 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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