Hi,
On Wed, Feb 17, 2016 at 7:22 AM, Elisa Pieri <elisa.pieri90.gmail.com> wrote:
>
> Running multipmemd version of pmemd Amber12
> Total processors = 16
> Number of groups = 8
>
This indicates that the run at least started.
> --------------------------------------------------------------------------
> MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
> with errorcode 1.
>
> --------------------------------------------------------------------------
> mpirun has exited due to process rank 12 with PID 4994 on
> node agachon exiting improperly. There are two reasons this could occur:
This means that at least one of your "groups" encountered an error.
Were any MDOUT files (i.e. '-o') generated and written to? If so there
may be more information in those files that indicates what went wrong.
Another thing to try is to try and run a small test with only 1 thread
per group and see if that works.
-Dan
>
> 1. this process did not call "init" before exiting, but others in
> the job did. This can cause a job to hang indefinitely while it waits
> for all processes to call "init". By rule, if one process calls "init",
> then ALL processes must call "init" prior to termination.
>
> 2. this process called "init", but exited without calling "finalize".
> By rule, all processes that call "init" MUST call "finalize" prior to
> exiting or it will be considered an "abnormal termination"
>
> This may have caused other processes in the application to be
> terminated by signals sent by mpirun (as reported here).
> --------------------------------------------------------------------------
> [agachon:04981] 7 more processes have sent help message help-mpi-api.txt /
> mpi-abort
> [agachon:04981] Set MCA parameter "orte_base_help_aggregate" to 0 to see
> all help / error messages
>
> Can you help me?
>
> Elisa
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Feb 17 2016 - 07:30:04 PST
