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Is the dft4d library only intended to be run with vasp as a pure MPI application? #131

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jjlow opened this issue Oct 7, 2021 · 0 comments

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@jjlow
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jjlow commented Oct 7, 2021

To whom it may concern,

I have built the MPI/OpenMP version of vasp 6.2.1 with dft4d.

Unfortunately, I cannot use multiple OpenMP threads with the vasp build.

Although the statement "running 18 mpi-ranks, with 2 threads/rank" appears in VASP's OUTCAR,
and the OPENMP banner appears in the log. Only 18 MPI single-threaded processes are run.

Is the dft4d library only intended to be run with vasp as a pure MPI application?

John J. Low
Argonne National Laboratory

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