I am trying to run: mpirun -np 2 siesta < input.fdf > output.out I always got the following error message
[minodo01:9113] *** An error occurred in MPI_Comm_group [minodo01:9113] *** on communicator MPI_COMM_WORLD [minodo01:9113] *** MPI_ERR_COMM: invalid communicator [minodo01:9113] *** MPI_ERRORS_ARE_FATAL (your MPI job will now abort) *** WARNING: Zmatrix form will be used only for input !! NOTE: orbital pair 1 84 (at least) is multiply connected. NOTE: Harmless for Gamma calculations, except if a COHP analysis is intended. *** WARNING: Zmatrix form will be used only for input !! -------------------------------------------------------------------------- mpirun has exited due to process rank 1 with PID 9114 on node minodo01 exiting without calling "finalize". This may have caused other processes in the application to be terminated by signals sent by mpirun (as reported here). -------------------------------------------------------------------------- [minodo01:09112] 1 more process has sent help message help-mpi-errors.txt / mpi_errors_are_fatal [minodo01:09112] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages But when I check the output file, I can get the following lines at the end: ... * Maximum dynamic memory allocated = 20 MB It stopped suddengly So, the calculation started normally, but ... I dit it on a single machine with 2 cores. Do you have any idea about it, please? I saw this problem on page http://www.mail-archive.com/[email protected]/msg03768.html but I cant understand how can I fix it Thank for any help!!!!
