Terminal output

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Revision as of 13:49, 28 February 2025 by Wolloch (talk | contribs) (Created page with "The standard output of VASP has several sections. Some examples for each are given below: === No of nodes, MPI ranks, OpenMP threads, and parallelization === The first output details rank, threading, and parallelization information. E.g with OpenMP threading: running 16 mpi-ranks, with 4 threads/rank, on 1 nodes distrk: each k-point on 4 cores, 4 groups distr: one band on 1 cores, 4 groups or without OpenMP thread...")
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The standard output of VASP has several sections. Some examples for each are given below:

No of nodes, MPI ranks, OpenMP threads, and parallelization

The first output details rank, threading, and parallelization information. E.g with OpenMP threading:

running   16 mpi-ranks, with    4 threads/rank, on    1 nodes
distrk:  each k-point on    4 cores,    4 groups
distr:  one band on    1 cores,    4 groups

or without OpenMP threading, but NCORE set:

running   16 mpi-ranks, with    1 threads/rank, on    1 nodes
distrk:  each k-point on    4 cores,    4 groups
distr:  one band on    2 cores,    2 groups

Version number, build date and executable type

Note that both the standard and the noncollinear version print out "complex", while the gamma-only version prints "gamma-only": vasp_std and vasp_ncl:

vasp.6.4.3 19Mar24 (build Sep 03 2024 17:30:01) complex

vasp_gam:

vasp.6.5.0 16Dec24 (build Feb 28 2025 14:30:48) gamma-only

Structure information

POSCAR found type information on POSCAR CoSiTi
POSCAR found :  3 types and       4 ions