Page 1 of 1

Error in routine epw_readin

Posted: Mon Mar 14, 2022 2:40 am
by ray
Dear developers and users,
I'm trying to calculate the epw1.in of Pb according to the EPW manual, but an error was reported in the epw1.out file. And I couldn't find any mistake in the calculation, the files I used in the following attachments. I would appreciate it if someone could give me some suggestions on dealing with this problem.
Best wishes,
ray

Re: Error in routine epw_readin

Posted: Mon Mar 14, 2022 6:23 pm
by hlee
Dear ray:

It seems that you are using one k pool with 8 cores. If you want to use 8 cores with the current version of EPW, you should specify eight k pools by adding "-nk 8" to the MPI run command.

Sincerely,

H. Lee

Re: Error in routine epw_readin

Posted: Tue Mar 15, 2022 1:36 am
by ray
Dear H. Lee,
Thank you for your response. Error is still reported after modification according to your method.

Re: Error in routine epw_readin

Posted: Tue Mar 15, 2022 2:49 pm
by hlee
Dear ray:

Could you provide your epw1.in?
Even if you used epw1.in from some source, your error indicates that there might be some mistake(s) when making epw1.in you used in your calculations.
Please post the "exact" epw1.in you used in your calculations.

Sincerely,

H. Lee