Error in routine epw_readin

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ray
Posts: 8
Joined: Mon Mar 14, 2022 1:19 am
Affiliation: physics

Error in routine epw_readin

Post 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
Attachments
G70FS(6RJMSUR7K%NKS{V6L.png
G70FS(6RJMSUR7K%NKS{V6L.png (31.31 KiB) Viewed 2033 times

hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Error in routine epw_readin

Post 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

ray
Posts: 8
Joined: Mon Mar 14, 2022 1:19 am
Affiliation: physics

Re: Error in routine epw_readin

Post by ray »

Dear H. Lee,
Thank you for your response. Error is still reported after modification according to your method.
Attachments
1.png
1.png (21.59 KiB) Viewed 2013 times
2.png
2.png (11.17 KiB) Viewed 2013 times

hlee
Posts: 415
Joined: Thu Aug 03, 2017 12:24 pm
Affiliation: The University of Texas at Austin

Re: Error in routine epw_readin

Post 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

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