[molpro-user] weird optg error

Ricardo Mata rmata at cii.fc.ul.pt
Thu Nov 20 11:58:59 GMT 2008


Hi Jason,

Please post your input file (text will do, no need to send an attachment).

Ricardo

On Thu, Nov 20, 2008 at 5:49 AM, Jason Byrd <byrd at phys.uconn.edu> wrote:
> Molpro users,
>
> I have come across this error:
> Starting numerical gradient for #<insert method here>
> ? Error
> ? Programming error: file not active
> ? The problem occurs in xmlCommentEnd
>
> What does this even mean?  I can attach an output file and input file as
> requested, but this comes up for what looks like a perfectly reasonable
> input file.  Any suggestions?
>
> Jason
>
> --
> Jason Byrd
> Graduate Student
> Department of Physics
> University of Connecticut U-3046
> 2152 Hillside Road
> Storrs, CT 06269-3046
>
> Office: P209 Tel: 860-486-3484
> Email: byrd at phys.uconn.edu
>
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