How to fix the MPI_Abort(MPI_COMM_WORLD, 1 ) - process0 and MPI_Abort(MPI_COMM_WORLD, 1 ) - process 1????????

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Why in some wavelengths there are "overflows" in my Carbon dot UV-Vis Spectroscopy results(Emission segment)?

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Dmitry Govorov

It's not a QE error but it comes from the message-passing interface that allows to run calculations in parallel, like on multiple cores or on a computing cluster. It might happen because the MPI library or the QE itself were compiled incorrectly.

Pedro Bello-Maldonado

Without knowing anything about QE, I looked at the source code for information about calls to MPI_Abort and that particular functions gets called in these files:

./LAXlib/la_error.f90:43: CALL mpi_abort(MPI_COMM_WORLD,ierr,info)

./UtilXlib/mp.f90:267: CALL mpi_abort(gid, errorcode, ierr)

./UtilXlib/mp.f90:1424: CALL mpi_abort(MPI_COMM_WORLD,code,ierr)

./UtilXlib/clocks_handler.f90:141: CALL mpi_abort(MPI_COMM_WORLD,ierr, ierr)

./EPW/examples/diamond/epw/out.ref/epw2.out:2666:3. this process called "MPI_Abort" or "orte_abort" and the mca parameter

./EPW/src/io_var.f90:245: CALL MPI_abort(MPI_comm_world, 1, ierr)

./FFTXlib/fft_error.f90:79: CALL mpi_abort(MPI_COMM_WORLD, ierr, info)

./FFTXlib/fft_error.f90:124: CALL mpi_abort(MPI_COMM_WORLD, ierr, info)

./COUPLE/examples/f2cp.f90:78: CALL mpi_abort(MPI_COMM_WORLD,-1,ierr)

./COUPLE/examples/f2pw.f90:78: CALL mpi_abort(MPI_COMM_WORLD,-1,ierr)

./upflib/upf_error.f90:44: CALL mpi_abort(MPI_COMM_WORLD,ierr,info)

./XClib/xclib_error.f90:46: CALL mpi_abort(MPI_COMM_WORLD,ierr,info)

./Doc/ChangeLog.pw:464: through a call to MPI_ABORT (CC)

I would just put a print message right before all of them or the ones you think your code is hitting to narrow down the problem. I would also try running with a single rank and see if the error persists. If it does then running GDB or another debugger should help.

Sorry can't provide more insight than that, but maybe it helps.