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howto:vasp [2021/08/26 16:19] alopis |
howto:vasp [2024/08/12 17:12] (current) alopis |
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| You need to ensure that the relevant VASP files are in the directory were you wish to submit your job from. | You need to ensure that the relevant VASP files are in the directory were you wish to submit your job from. | ||
| - | Run **qvasp_5.3** or **qvasp_5.4.1** for example in order to generate a PBS script and submit a job to the cluster. | + | Run **qvasp_5.3** or **qvasp_5.4.1** |
| Examples of the script are provided below: | Examples of the script are provided below: | ||
| - | + | **Note**, please | |
| - | Please note,first include this module - even better if your add this line to your .bashrc | + | |
| module load chpc/ | module load chpc/ | ||