Problems about VIBRATIONAL_ANALYSIS

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Cao Yang

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Nov 29, 2025, 5:29:22 AM (6 days ago) Nov 29
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Dear CP2K community,

I am encountering an issue when using CP2K 2025 to perform VIBRATIONAL_ANALYSIS. The job appears to be running normally in the SLURM job submission system, and when I log in to the corresponding node and check with top, the program seems active. However, the output file has not been updated for more than ten days (see the screenshot below). What might be causing this? Could it be related to memory usage?

In addition, a large number of files named TEST-r-9.out and TEST-r-4-raman-5_1.data have been generated. Could someone explain what these files represent?

Thank you for your help.out.png
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