Re: Sending REUS simulations to Stampede

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Feb 11 2019 - 21:02:55 CST

Hi Sebastian, stampede most likely has instructions on how to submit batch
jobs via Slurm.

On Mon, Feb 11, 2019, 8:41 PM Canal de Sebassen <
thecromicusproductions_at_gmail.com wrote:

> Hello,
>
> I'm trying to submit some jobs to run in stampede. The code would be
>
> #!/bin/bash
> #SBATCH --job-name=NAMD
> #SBATCH --nodes=50
> #SBATCH --ntasks=650
> #SBATCH --time=0:59:00
> #SBATCH --partition=normal
> #SBATCH --mail-type=ALL
> #SBATCH --mail-user=XXXXXX
> #SBATCH -A XXXXX
> cd `pwd`
> ibrun /work/00288/tg455591/NAMD_LATEST_Linux-KNL-MPI-smp-Stampede/namd2
> +ppn 4 +pemap 0-51 +commap 53-65 +replicas 50 job0.conf +stdout
> %d/run0.%d.log
>
> But I'm getting a message "ERROR: Do not run /usr/local/bin/ibrun on the
> login node! It must be run on a compute node."
> I would like to send these jobs to run, not to run them on a compute or
> login node (maybe using something like the runbatch_latest_knl script) but
> I don't know how to do this. Any suggestions?
>
> Thanks a lot,
>
> Sebastian
>
>

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