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 ...
Search found 4 matches
- Thu Aug 18, 2022 5:16 am
- Forum: eOn
- Topic: EON-mpi Error
- Replies: 3
- Views: 51906
- 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 ...
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 ...
- 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 ...
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 ...
- 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 ...
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 ...