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<span style="margin:0px;font-size:12pt;color:black;background-color:white"><span style="margin:0px;background-color:white"><span style="margin:0px">Hello</span></span></span></div>
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<span style="margin:0px">My name is Rutika. I run quantum espresso calculation on the Cedar cluster on computeCanada. I am facing calculation error on the cluster for my relaxation calculation of MoN slab. My calculation starts and ends abrutly after 2 or 3
iterations. I wanted to know if the issue is regarding my input file or the version of quantum espresso. I am running calculation on cedar with using run.sh file as below:</span></div>
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#!/bin/sh
<div>#SBATCH --nodes=4</div>
<div>#SBATCH --ntasks-per-node=48</div>
<div>#SBATCH --time=08-00:00</div>
<div>#SBATCH --mem=0</div>
<div>#SBATCH --account=def-jkopysci</div>
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<div>module load StdEnv/2020 quantumespresso/6.6</div>
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<div>srun pw.x -i < pwx_Slab.in > pwx_Slab.out</div>
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My input file and error I have attached in this mail. Please let me know if the there is any issue with my input file.</div>
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Thank You.</div>
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Regards,</div>
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Rutika</div>
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