[molpro-user] Time limit exceded - AIMS
MayAJ1 at cardiff.ac.uk
Wed Jun 26 13:49:04 BST 2013
This is because there is a time limit when using a trial version of
Molpro, the full version contains no such limit.
On 24/06/13 22:23, Gabriel Freitas wrote:
> Dear developers/users,
> First of all, thank you for the previous answers about CCSD(T).
> I'm running QCISD(T) trajectories using AIMS (single state), and I got
> the following exit message after 5 timesteps, right after the
> "Prescreening statistics" for a gradient calculation:
> ? Error
> ? Time limit exceeded!
> ? The problem occurs in check_timelimit
> I haven't found any corresponding parameter. Does anyone know how to fix it?
> Best wishes,
> Molpro-user mailing list
> Molpro-user at molpro.net
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