<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>