[molpro-user] CASSCF error

Andy May MayAJ1 at cardiff.ac.uk
Mon Feb 4 08:11:14 GMT 2013


Eldar,

The attachment appears to be corrupt.

Best wishes,

Andy

On 04/02/13 07:34, Эльдар Мамин wrote:
> Dear developers and users of MolPro,
>
> i always recieve the following error in my CASSCF(10,9)/aug-cc-pvdz launch
>
>   PROGRAM * OPT (Geometry optimization)     Authors: F. Eckert and H.-J.
> Werner
>
>
>   *** Long output written to logfile /wrk/vasily/MOLPRO/1/ts1.log ***
>
>
>   Geometry optimization using default procedure for command MULTI
>
>   Geometry written to block  1 of record 700
>
>   GETMEM ERROR IN GETMEM  HerR  Free
>
>   GLOBAL ERROR fehler on processor   0
>
>
> What is wrong in my INPUT. Script, input, out, xml are applied.
> Best regards,
> Eldar
>
>
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