Queries about input and output files, running specific calculations, etc.
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Jike.Wang
- Newbie

- Posts: 12
- Joined: Fri Jun 24, 2022 10:13 am
#1
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by Jike.Wang » Tue Jun 17, 2025 12:03 pm
Dear all,
When I doing TDDDH calculation of LiF, an error appeared, which is "Some of your processes may have been killed by the cgroup out-of-memory handler". Why this happens? I have attached some input and output files here. Could you give me some advice?
Thanks.
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merzuk.kaltak
- Administrator

- Posts: 319
- Joined: Mon Sep 24, 2018 9:39 am
#2
Post
by merzuk.kaltak » Wed Jun 18, 2025 1:37 pm
The error
Code: Select all
Some of your processes may have been killed by the cgroup out-of-memory handler
indicates you run out of memory for your job.
Have to you tried reducing convergence parameter, for instance using a smaller set of k-points?
FYI, your job with NBANDS=144 and 24 MPI requires more than 512 GB of RAM.
Here is a rough estimate of memory your job used in the BSE step:
5 x 5 x 5: 84 GB
9 x 9 x 9: 183 GB
11 x 11 x 11: > 503 GB