Eon akmc moves not happening

eOn code for long time scale dynamics

Moderator: moderators

Post Reply
sanjay14kr
Posts: 7
Joined: Tue Mar 15, 2022 7:12 pm

Eon akmc moves not happening

Post by sanjay14kr »

Hello,
I am running eon akmc simulations on the metallic system. Eon is predicting saddle points correctly but it is not making any akmc move. AKMC moves are being canceled and I get the following errors:
"Discarded results" and "canceled workunit" (Error image is attached)
Any help in solving this issue will be appreciated.
Regards,
Sanjay
Attachments
Eon-KMC-error.jpeg
Eon-KMC-error.jpeg (59.18 KiB) Viewed 59721 times
graeme
Site Admin
Posts: 2276
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: Eon akmc moves not happening

Post by graeme »

In what you posted it looks like EON did a KMC step from state 0 to state 1.

See: "KMC step from state 0 through process 27 to state 1"
sanjay14kr
Posts: 7
Joined: Tue Mar 15, 2022 7:12 pm

Re: Eon akmc moves not happening

Post by sanjay14kr »

Thank you so much for your reply. Now, it is working fine.
Regards,
Sanjay
Post Reply