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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