[molpro-user] F3EXTSIZE

[Grant Hill]

Dear Leo,

Simply add something like:

dfit,F3EXTSIZE=newsize

to your input file.

Best regards,

Grant



On 2 Feb 2012, at 15:40, Leo Holroyd wrote:

> How does one use the F3EXTSIZE option to set the maximum file size for 3-external integrals?  This is the error message when the size limit is exceeded:
> 
> File size for 3-external integrals using MO/center triples:   113.307 GB
> 
>  File size limit (100.0 GB) exceeded.  Please use F3EXTSIZE to increase File size limit
>  ? Error
>  ? File size limit exceeded
>  ? The problem occurs in SizeOf3extcen
> 
>  GLOBAL ERROR fehler on processor   0
> 
> Many thanks,
> Leo Holroyd
> 
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