Sending REUS simulations to Stampede

From: Canal de Sebassen (thecromicusproductions_at_gmail.com)
Date: Mon Feb 11 2019 - 19:39:24 CST

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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