Hang MPI process when steps in wannier_run
Posted: 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
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