Search found 4 matches

by lokiloki
Thu Aug 18, 2022 5:16 am
Forum: eOn
Topic: EON-mpi Error
Replies: 3
Views: 51906

Re: EON-mpi Error

Hi graeme,

Thank you for the reply. I made some changes and got rid of the error with Table exceptions.
Unfortunately, I have encounter something again while running EON-mpi with lammps potential.

I am attaching the config file and error screenshot herewith.

I have tried running EON on the same ...
by lokiloki
Wed Jul 20, 2022 5:38 am
Forum: eOn
Topic: EON-mpi Error
Replies: 3
Views: 51906

EON-mpi Error

Hi,
I am trying to run EON-mpi on the workstation, and for that, I have installed all the libraries and also build EON accordingly. I have tried running EON on prd_mpi provided as an example with eon setup, which is working fine.
However when I tried to run eon with my own script it shows some ...
by lokiloki
Thu Jun 30, 2022 11:54 am
Forum: eOn
Topic: Lattice distortion with dynamics method in EON-AKMC
Replies: 3
Views: 46919

Re: Lattice distortion with dynamics method in EON-AKMC

Dear graeme,

Thank you very much for the reply.

As you mentioned, I have constrained only the interstitial atoms to move during AKMC bydisplace_type_list command. I suspect that the distortion in the lattice is due to the dynamics run only. However, the interstitial atoms which were moved during ...
by lokiloki
Tue Jun 21, 2022 8:40 am
Forum: eOn
Topic: Lattice distortion with dynamics method in EON-AKMC
Replies: 3
Views: 46919

Lattice distortion with dynamics method in EON-AKMC

Hello,

I am running Eon-akmc simulations on a metallic system. We are trying to simulate interstitial diffusion in a perfect lattice (bcc). I am using the dynamics method for saddle searches and performing dynamics at an elevated temperature of around 1200 K. The Config file is attached here ...