[gmx-users] Mdrun kills all other（single CPU）mdrun processes started by same father process?

[Peter Mueller]

Dear Gromacs users,

on a smaller cluster I start with a small C + MPI program via a system call several single CPU Gromacs mdrun jobs.
(For the cluster admin it's OK, because my system does not scale well and I need lots of small independent trajectories.)
All the mdrun jobs are independent and shouldn't know from each other.
Just to make sure that the jobs don't kill each I included a "MPI_Barrier(MPI_COMM_WORLD)" before the process call "MPI_Finalize()".
Now I realized that when the first single CPU mdrun finishes a TERM signal is send to all other mdrun jobs which are started by my C program.
After getting the TERM signal this mdrun jobs do one additional md-step and then write out a summary before stopping.

In the manual page of mdrun I found following hint:
   "When mdrun receives a TERM signal, it will
     set nsteps to the current step plus one
    ... all the usual output will be written to file.
    When running with MPI, a signal to one of
    the mdrun processes is sufficient, this signal
     should not be sent to mpirun or the mdrun
    process that is the parent of the others."

I think mdrun is to clever :-). When it finishes it checks if the father process started any other mdrun jobs. If this is the case it send a TERM single to all this corresponding mdrun jobs.
Because my mdrun jobs are independent this behavior is my case wrong.
Is there any flag for "mdrun" to avoid this behavior?


Thanks
Peter

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