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<div><span></span>Dear QE community</div><div><br></div><div>I am running a geometry relax job with QE-6.6, compiled with Intel Parallel Studio 2020 on CentOS7.</div><div><br></div><div>When I run the calculation with "mpirun -np 56 -in inputfile > outputfile", the calculation runs and ends normally.</div>
<div><br></div><div>If I setup parallel diagonalization, e.g. "mpirun -np 56 -ndiag 36 -in inputfile > output file", I get error message like:</div><div><br></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);">Intel(R) Parallel Studio XE 2020 Update 1 for Linux*<br>Copyright (C) 2009-2020 Intel Corporation. All rights reserved.<br>Abort(134821893) on node 2 (rank 2 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd27046258) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(604583941) on node 4 (rank 4 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff909720d8) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(671692805) on node 6 (rank 6 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc8e9117d8) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(671692805) on node 8 (rank 8 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7fff91e571d8) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(671692805) on node 16 (rank 16 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffc4a314a58) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(134821893) on node 14 (rank 14 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffe425d4a58) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(470366213) on node 18 (rank 18 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffcac384858) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(403257349) on node 26 (rank 26 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffec65dae58) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(537475077) on node 28 (rank 28 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd46a58c58) failed<br>PMPI_Comm_free(85).: Null communicator<br>Abort(269039621) on node 38 (rank 38 in comm 0): Fatal error in PMPI_Comm_free: Invalid communicator, error stack:<br>PMPI_Comm_free(137): MPI_Comm_free(comm=0x7ffd1e81e358) failed<br>PMPI_Comm_free(85).: Null communicator</span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);"><br></span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);">Input and output files are attached. Would you please help me to solve this problem?</span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);"><br></span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);">Thanks and regards</span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);"><br></span></div><div><span style="color: rgb(0, 0, 0); background-color: rgba(0, 0, 0, 0);">Yang Liu</span></div><hr style="width: 210px; height: 1px;" color="#b5c4df" size="1" align="left">
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