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.
_______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
