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Necessary memory estimation

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  • piquiniundefined Offline
    piquiniundefined Offline
    piquini
    wrote last edited by
    #1

    Is there a way to estimate the necessary RAM to run a job, given specifications of this job as: number and types of atoms in the assymetric unit cell, basis sets, exchange and correlation functional, number of k-points, MPI tasks and number of threads?

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