[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


   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20181017/2c169f9a/attachment.html>


More information about the Wien mailing list