Error while simulating on NAMD

From: Anirvinya Gururajan (anirvinya.gururajan_at_research.iiit.ac.in)
Date: Sun Mar 20 2022 - 16:16:25 CDT

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Hi all,

Recently, I have been facing trouble with a very specific system that I am trying to simulate using NAMD/2.13. PFA the slurm output file generated. When I try to simulate it over an interactive job on the cluster node, it seems to work fine. But if it is submitted as a batch job on the same cluster node, it throws the following error. I am not very sure as to where the source of the problem is. The system is large and has about 800k atoms (I don't know how irrelevant it is to this issue).

Regards,
Anirvinya G
CCNSB, IIITH

• text/plain attachment: error.txt

• application/octet-stream attachment: 50_eq.out

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