Hang MPI process when steps in wannier_run

Problems running VASP: crashes, internal errors, "wrong" results.

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zongxiang_hu
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Hang MPI process when steps in wannier_run

#1 Post by zongxiang_hu » Thu Jun 24, 2021 1:00 pm

Dear VASP developers,

I have trouble in generating MLWF by using wannier90 interface with vasp.6.2.x. I find that other steps depending on vasp only can run correctly and wannier_setup also can run correctly, but processes hang when subsroutine wannier_run is runing. I check occupancy of all processes find that all processes have 100% occupancy but I get nothing waiting for a while.
I wonder if compiling of libwannier.a causes this proplem?

Kind regards,

Benoit

martin.schlipf
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Re: Hang MPI process when steps in wannier_run

#2 Post by martin.schlipf » Thu Jun 24, 2021 1:39 pm

Have you seen this post. Perhaps your issue is related.

If not could you provide a full example (POSCAR, INCAR, KPOINTS, POTCAR) to reproduce the issue, please?

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