[Wien] question about submitting job to the queue
shaymlal dayananda
kcsdayananda at yahoo.com
Wed Oct 17 17:19:59 CEST 2018
Dear developers and users
I have a problem regarding the job script used to send the calculation to the queuing system. I know that the formal job script for SRUM system is similar to the one provided in the link here. http://susi.theochem.tuwien.ac.at/reg_user/faq/pbs.html
However the job runs with a simple script as below. Can someone tell me if there is anything wrong with the results from the second script?
#!/bin/bash
#SBATCH --nodes=1
#SBATCH --ntasks-per-node=8
#SBATCH --mem=1000
#SBATCH --time=00-04:00 # time (DD-HH:MM)
module use /home/$USER/modulefiles
module load wien2k/18.2
runsp_lapw -p -i 40 -ec 0.0001
Thank you for your attention
Daya
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