UT theoretical chemistry code forum

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 errors. I am attaching the screenshot of the log and config file.

Any help regarding the issue will be appreciated.

Thank you

Regards,

Lokesh Soni
PhD student
IIT Bombay, INDIA

Often I can recognize error messages and provide advise but in this case, I really don't know what is going wrong. It looks like one of the mpi ranks can not read the job files, but I'm not sure why that would be. If you learn more, I might be able to help. Another option, if you want to post the entire initial calculation, is that I can try it here. But I expect that the problem is related to your setup and I would not be able to reproduce the error here.

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 script without mpi which seems to be working fine without any issue.

Any help in this regard would be appreciated.

Regards,

Lokesh Soni
PhD Student
IIT Bombay

Has this issue been resolved, or is there still a problem using EON in mpi mode?