Sigint

[Joroks]

This is my attempt to make it possible to interupt LAMMPS during a long running simulation. I'm not sure if this is the best way to solve this problem
This only works when running julia with at least two threads.

I've tested it using this script:

LMP() do lmp
    command(lmp, """
         region cell block 0 3 0 3 0 3
         create_box 1 cell
         lattice sc 1
         create_atoms 1 region cell
         mass 1 1
         run 100000000000
     """)
end

[vchuravy]

Why do we need a task? Can't we just catch the InterruptException?

[Joroks]

I think I'll have to look into this in more detail. For my toy-example, interupting the lammps instance seems to actually work without any modifications to the code. However, when I try to interupt my real simulation, it doesn't work.

I don't know why that would be the case.

[vchuravy]

@jpsamaroo might have some thoughts here as well, in particular how this would play with JuliaLang/julia#49541

[jpsamaroo]

If that Julia PR were merged (once finished, it's not yet ready), then we could:

• Stick with the approach in this PR (spawning a new task for running LAMMPS)
• Spawn a new task to wait for interrupts, and register it as a handler with Julia
• Both tasks can signal the main task with a Base.Event or some other mechanism
• When the signal is triggered, the main task will force a LAMMPS timeout