[QE-users] Problems with DFT + U Calculations: Fatal error in PMPI_Bcast

[Paolo Giannozzi]

QE version?

On Sat, Oct 20, 2018 at 9:01 AM arini kar <arini.kar at gmail.com> wrote:

> Dear Quantum Espresso users,
>
> I have been trying to relax a 2x2x1 supercell of hematite doped with Ge
> and an oxygen vacancy. However, after a few electronic iterations, I
> received the following error:
>
> Fatal error in PMPI_Bcast: Other MPI error, error stack:
> PMPI_Bcast(2112)........: MPI_Bcast(buf=0x11806c00, count=7500,
> MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
> MPIR_Bcast_impl(1670)...:
> I_MPIR_Bcast_intra(1887): Failure during collective
> MPIR_Bcast_intra(1524)..: Failure during collective
> Fatal error in PMPI_Bcast: Other MPI error, error stack:
> PMPI_Bcast(2112)........: MPI_Bcast(buf=0x56fced0, count=7500,
> MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
> MPIR_Bcast_impl(1670)...:
> I_MPIR_Bcast_intra(1887): Failure during collective
> MPIR_Bcast_intra(1524)..: Failure during collective
> Fatal error in PMPI_Bcast: Other MPI error, error stack:
> PMPI_Bcast(2112)........: MPI_Bcast(buf=0x1080d330, count=7500,
> MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
> MPIR_Bcast_impl(1670)...:
> I_MPIR_Bcast_intra(1887): Failure during collective
> MPIR_Bcast_intra(1524)..: Failure during collective
> Fatal error in PMPI_Bcast: Other MPI error, error stack:
> PMPI_Bcast(2112)........: MPI_Bcast(buf=0x10c025c0, count=7500,
> MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
> MPIR_Bcast_impl(1670)...:
> I_MPIR_Bcast_intra(1887): Failure during collective
> MPIR_Bcast_intra(1524)..: Failure during collective
> Fatal error in PMPI_Bcast: Other MPI error, error stack:
> PMPI_Bcast(2112)........: MPI_Bcast(buf=0x112e96c0, count=7500,
> MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed
> MPIR_Bcast_impl(1670)...:
> I_MPIR_Bcast_intra(1887): Failure during collective
> MPIR_Bcast_intra(1524)..: Failure during collective
> [16:ycn213.en.yuva.param] unexpected disconnect completion event from
> [7:ycn217.en.yuva.param]
> Assertion failed in file ../../dapl_conn_rc.c at line 1128: 0
> internal ABORT - process 16
>
> The input file for the same is attached below. Since, I am new to Quantum
> Espresso, I am not able to find a solution to the problem. I request you to
> help me with possible corrections.
>
> Regards
> Arini Kar
> M.Sc.-Ph.D.
> IIT Bombay
> India
>
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> users at lists.quantum-espresso.org
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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