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VASP: Difference between revisions
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m (Added detail that pseudopotentials can only be accessed once the module is loaded.) |
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If you do not know how much memory you need for your job, prepare all your input files and then run <code>makeparam</code> in an interactive job submission. Then use the result as required memory for the next run. | If you do not know how much memory you need for your job, prepare all your input files and then run <code>makeparam</code> in an [[Running_jobs#Interactive_jobs|interactive job submission]]. Then use the result as required memory for the next run. However, for a more accurate estimate for future jobs, check the maximum stack size used by [[Running_jobs#Completed_jobs|completed jobs]], and use this as the memory requirement per processor for the next job. | ||
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