[Pw_forum] Quantum Espresso related problem

[Anindya Bose]

Dear Sir,
After getting successful convergence in vc relax and scf, nscf calculation
is not converging here. I am getting an error message like "Subspace
diagonalization in iterative solution of the eigenvalue problem:a serial
algorithm will be used MPI_ABORT was invoked on rank 31 in communicator
MPI_COMM_WORLD with errorcode 1.NOTE: invoking MPI_ABORT causes Open MPI to
kill all MPI processes.You may or may not see output from other processes,
depending on
exactly when Open MPI kills them". Can you please tell me how to resolve it.
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