Dear Sir/Madam,
Can you please help me in submitting the parallel jobs for NEB calculation.
I have created a 'test' folder which contains, 00,01...06 sub folder containing POSCAR files each (no. of images are 5) . The 'test' folder also contain the required input files for the calculation e.g. INCAR ...
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- Thu Jun 27, 2019 8:18 am
- Forum: eOn
- Topic: how to change the submission script from "qsub" to "slurm (sbatch) queue system
- Replies: 10
- Views: 254254