Your log file says "slurmstepd: error: *** JOB 1871970 ON cn6015 CANCELLED AT 2023-09-15T23:08:05 DUE TO TIME LIMIT ***". As it is showing time limit, then this should be the solution in my opinion.
Satyajit
________________________________
From: VERONICA MARTIN HERNANDEZ <veronica.martin.hernandez.uva.es>
Sent: 18 September 2023 15:04
To: SATYAJIT KHATUA <satyajitkhatua09.gmail.com>; AMBER Mailing List <amber.ambermd.org>
Subject: RE: AMBER error slurmstepd
Thanks
I've tried your solution but the error remains. Is there another posibility?
Thanks
________________________________
De: SATYAJIT KHATUA <satyajitkhatua09.gmail.com>
Enviado: lunes, 18 de septiembre de 2023 10:29
Para: VERONICA MARTIN HERNANDEZ <veronica.martin.hernandez.uva.es>; AMBER Mailing List <amber.ambermd.org>
Asunto: Re: AMBER error slurmstepd
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<https://urldefense.com/v3/__https://ambermd.org/tutorials/advanced/tutorial3/section1.php__;!!D9dNQwwGXtA!X_KYwoFq-3u7IeFSln2zCeBDQGhLlF9i0IKESFHQ_-I3jPqM7BoC_vDtPQmshVXLh52dSEXNpVoGh7G3GFRXq_BM6htG8bXR0ug3uA$> 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 - 05:30:02 PDT
