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 <[email protected]> wrote: > > > ---------- Forwarded message --------- > From: masoudeh maleki <[email protected]> > Date: Mon, May 31, 2021 at 1:01 PM > Subject: Fwd: > To: <[email protected]> > > > > 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 > > > > > > [image: Mailtrack] > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > Sender > notified by > Mailtrack > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > 05/31/21, > 12:59:58 PM > > [image: Mailtrack] > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > Sender > notified by > Mailtrack > <https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&;> > 05/31/21, > 02:33:05 PM > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
