[molpro-user] Problem insufficient memory available
Kirk Peterson
kipeters at wsu.edu
Mon May 18 19:42:00 BST 2015
Andy,
the memory directive is global and does not belong in a program block as you have it below. It should be at the very top of your
input file. Even so, what you have specified, 4 megaword,s is quite small. I would recommend starting with
a value of at least 50.
best regards,
-Kirk
> On May 18, 2015, at 9:49 AM, 林鴻安 <h7911200 at gmail.com> wrote:
>
> Dear Molpro-users,
>
> Whether this problem can be solved?
> I tried many way to slove it.but the problem still exists.
>
> that it my input:
> GEOMETRY = {ang; O1; O2,O1,R}
> GPRINT
> BASIS = AVQZ
> R = 1.4
> closed,2,0,0,0,2,0,0
> occ,5,2,2,0,4,1,1,0
> do i = 1,8
> wf,16,i,2
> multi;ORBITAL,IGNORE_ERROR;state,6
> mrci;ORBITAL,IGNORE_ERROR;state,6;MEMORY,4,M
>
> enddo
>
> problem:
> insufficient memory available - require 3713294 have
> 2331704
> the request was for real words
>
> Thank you for your help.
>
>
> Best regards
>
> Andy
>
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