Search found 4 matches

by mirhosseini
Wed Jul 05, 2017 7:31 am
Forum: eOn
Topic: VASP and EON
Replies: 6
Views: 28988

Re: VASP and EON

Dear Graeme, Thanks for the example. I am not still able to run this example. When I call eonclient I got this error message: Loading parameter file config.ini * [Main] job: akmc * [Main] temperature: 300 * [Main] random_seed: 500 * [Main] checkpoint: true * [Main] finite_difference: 0.1 * [Potentia...
by mirhosseini
Mon Apr 03, 2017 8:53 pm
Forum: eOn
Topic: VASP and EON
Replies: 6
Views: 28988

Re: VASP and EON

I also facing the same problem. I can run the akmc-au-vasp example with some potential but not with vasp and mpi.
Could you please comment on this issue?
Thanks
by mirhosseini
Mon Apr 03, 2017 1:48 pm
Forum: VTSTTools
Topic: the dynmat job for the system has been killed
Replies: 2
Views: 9021

Re: the dynmat job for the system has been killed

Dear Graeme,
I am sending you the files. Thanks in advance for your help. As you see after st003 the code stops.
by mirhosseini
Sat Apr 01, 2017 6:35 pm
Forum: VTSTTools
Topic: the dynmat job for the system has been killed
Replies: 2
Views: 9021

the dynmat job for the system has been killed

I am trying to study the diffusion on some alkali metals in a cell with 64 atoms performing akmc calculations. The job runs and find the saddle point but then it stops with this message: No more saddle processes are needed. However, the dynmat job for the system has been killed. Deadlock! Could you ...