Re: Sending REUS simulations to Stampede

From: Canal de Sebassen (thecromicusproductions_at_gmail.com)
Date: Mon Feb 11 2019 - 21:25:31 CST

Thanks for your reply, Giacomo! You answered my question, I just had to
submit it through sbatch

On Mon, Feb 11, 2019 at 10:03 PM Giacomo Fiorin <giacomo.fiorin_at_gmail.com>
wrote:

> 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
>>
>>

This archive was generated by hypermail 2.1.6 : Sat Sep 21 2019 - 23:20:11 CDT