Hi,
So, you are using SLURM script. In you script try to increase the time limit (given in -t option). It is because of the time constraints.
If -t option is not there try to add something like
#SBATCH -t 72:00:00 (if max limit is 72 hrs)
Best,
Satyajit
________________________________
From: VERONICA MARTIN HERNANDEZ via AMBER <amber.ambermd.org>
Sent: 18 September 2023 13:15
To: AMBER Mailing List <amber.ambermd.org>
Subject: [AMBER] AMBER error slurmstepd
I have recently installed AMBER in a new cluster and I'm trying this tutorial: https://ambermd.org/tutorials/advanced/tutorial3/section1.php and in the equilibration step I use this command: srun pmemd.cuda -O -i equil.in -o ras-raf-equil.out -p ras-raf-solv.prmtop -c ras-raf-density.rst -r ras-raf-equil.rst -x ras-raf-equil.mdcrd -ref ras-raf-density.rst
The program does not finish because it doesn't print the and I get the following error:
slurmstepd: error: *** JOB 1871970 ON cn6015 CANCELLED AT 2023-09-15T23:08:05 DUE TO TIME LIMIT ***
In other clusters I don't have this error, It's the first time that I see it
How can I fix it?
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Received on Mon Sep 18 2023 - 01:30:02 PDT
