[QE-users] Fwd:

[masoudeh maleki]

---------- 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





[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210531/e7af3651/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: sample-2_40200.pw.in
Type: application/octet-stream
Size: 3789 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210531/e7af3651/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: sample-2_40200-DOS.in
Type: application/octet-stream
Size: 315 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210531/e7af3651/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: sample-2_40200.pw.out
Type: application/octet-stream
Size: 100171 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210531/e7af3651/attachment-0002.obj>