[QE-users] Fwd:

[Paolo Giannozzi]

I can't reproduce your problem. t works for me with the latest QE version
Paolo


On Mon, May 31, 2021 at 12:03 PM masoudeh maleki <masodeh.maleki at gmail.com>
wrote:

>
>
> ---------- Forwarded message ---------
> From: masoudeh maleki <masodeh.maleki at gmail.com>
> Date: Mon, May 31, 2021 at 1:01 PM
> Subject: Fwd:
> To: <users at lists.quantum-espresso.org>
>
>
>
> Dear Quantum espresso expert,
> I'm working on doping 48 atoms tinoxide by QE. I've done vc relaxed and
> then I substituted new positions of atoms in scf calculation. After
> attaining bandstructure I did DOS calculation and I built pw.in input
> which is in the following attachment for nscf calulation. For abtaining DOS
> data I did dos.x calculation with the following input. I used QE6.1. But I
> faced with the following error:
>
> Abort(134814977) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 5 (rank 5 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 7 (rank 7 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 8 (rank 8 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 9 (rank 9 in comm 0): Fatal error in PMPI_Bcast:
> Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 10 (rank 10 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 11 (rank 11 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 12 (rank 12 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 13 (rank 13 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 14 (rank 14 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 15 (rank 15 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 16 (rank 16 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 17 (rank 17 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 18 (rank 18 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
> Abort(134814977) on node 19 (rank 19 in comm 0): Fatal error in
> PMPI_Bcast: Invalid buffer pointer, error stack:
> PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0,
> comm=MPI_COMM_WORLD) failed
> PMPI_Bcast(408): Null buffer pointer
>
>
>
> It would be your kindness to guide me in this regards.
> Sincerely
> masoudeh
>
>
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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