<div dir="ltr">QE version?<br></div><br><div class="gmail_quote"><div dir="ltr">On Sat, Oct 20, 2018 at 9:01 AM arini kar <<a href="mailto:arini.kar@gmail.com">arini.kar@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div dir="ltr"><div>Dear Quantum Espresso users,</div><div><br></div><div>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:</div><div><br></div><div>Fatal error in PMPI_Bcast: Other MPI error, error stack:<br>PMPI_Bcast(2112)........: MPI_Bcast(buf=0x11806c00, count=7500, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed<br>MPIR_Bcast_impl(1670)...: <br>I_MPIR_Bcast_intra(1887): Failure during collective<br>MPIR_Bcast_intra(1524)..: Failure during collective<br>Fatal error in PMPI_Bcast: Other MPI error, error stack:<br>PMPI_Bcast(2112)........: MPI_Bcast(buf=0x56fced0, count=7500, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed<br>MPIR_Bcast_impl(1670)...: <br>I_MPIR_Bcast_intra(1887): Failure during collective<br>MPIR_Bcast_intra(1524)..: Failure during collective<br>Fatal error in PMPI_Bcast: Other MPI error, error stack:<br>PMPI_Bcast(2112)........: MPI_Bcast(buf=0x1080d330, count=7500, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed<br>MPIR_Bcast_impl(1670)...: <br>I_MPIR_Bcast_intra(1887): Failure during collective<br>MPIR_Bcast_intra(1524)..: Failure during collective<br>Fatal error in PMPI_Bcast: Other MPI error, error stack:<br>PMPI_Bcast(2112)........: MPI_Bcast(buf=0x10c025c0, count=7500, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed<br>MPIR_Bcast_impl(1670)...: <br>I_MPIR_Bcast_intra(1887): Failure during collective<br>MPIR_Bcast_intra(1524)..: Failure during collective<br>Fatal error in PMPI_Bcast: Other MPI error, error stack:<br>PMPI_Bcast(2112)........: MPI_Bcast(buf=0x112e96c0, count=7500, MPI_DOUBLE_PRECISION, root=0, comm=0x84000005) failed<br>MPIR_Bcast_impl(1670)...: <br>I_MPIR_Bcast_intra(1887): Failure during collective<br>MPIR_Bcast_intra(1524)..: Failure during collective<br>[16:ycn213.en.yuva.param] unexpected disconnect completion event from [7:ycn217.en.yuva.param]<br>Assertion failed in file ../../dapl_conn_rc.c at line 1128: 0<br>internal ABORT - process 16</div><div><br></div><div>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.</div><div><br></div><div>Regards</div><div>Arini Kar</div><div>M.Sc.-Ph.D.</div><div>IIT Bombay</div><div>India<br></div><div><br></div></div></div>
_______________________________________________<br>
users mailing list<br>
<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>