<div dir="ltr"><br><br><img width="0" height="0" class="mailtrack-img" alt="" style="display:flex" src="https://mailtrack.io/trace/mail/c2fc03471658bf1feda4aeea342cb70a52f4b398.png?u=6814418"><div class="gmail_quote"><div dir="ltr" class="gmail_attr">---------- Forwarded message ---------<br>From: <strong class="gmail_sendername" dir="auto">masoudeh maleki</strong> <span dir="auto"><<a href="mailto:masodeh.maleki@gmail.com" target="_blank">masodeh.maleki@gmail.com</a>></span><br>Date: Mon, May 31, 2021 at 1:01 PM<br>Subject: Fwd:<br>To: <<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a>><br></div><br><br><div dir="ltr"><br><img width="0" height="0" alt="" style="display:flex" src="data:image/gif;base64,R0lGODlhAQABAIAAAAAAAP///yH5BAEAAAAALAAAAAABAAEAAAIBRAA7"><div class="gmail_quote"><div class="gmail_attr">Dear Quantum espresso expert, </div><div class="gmail_attr">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 <a href="http://pw.in" target="_blank">pw.in</a> 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:</div><div class="gmail_attr"><br></div><div class="gmail_attr">Abort(134814977) on node 0 (rank 0 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 1 (rank 1 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 3 (rank 3 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 5 (rank 5 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 7 (rank 7 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 8 (rank 8 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 9 (rank 9 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 10 (rank 10 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 11 (rank 11 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 12 (rank 12 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 13 (rank 13 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 14 (rank 14 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 15 (rank 15 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 16 (rank 16 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 17 (rank 17 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 18 (rank 18 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br>Abort(134814977) on node 19 (rank 19 in comm 0): Fatal error in PMPI_Bcast: Invalid buffer pointer, error stack:<br>PMPI_Bcast(431): MPI_Bcast(buf=(nil), count=1, MPI_INTEGER, root=0, comm=MPI_COMM_WORLD) failed<br>PMPI_Bcast(408): Null buffer pointer<br></div><div class="gmail_attr"><br></div><div class="gmail_attr"><br></div><div class="gmail_attr"><br></div><div class="gmail_attr">It would be your kindness to guide me in this regards.</div><div class="gmail_attr">Sincerely</div><div class="gmail_attr">masoudeh</div><div class="gmail_attr"><br></div><br><br><div dir="ltr"><br></div>
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