How to use the Multi processing in liggghts 3.2.1?

Submitted by ural on Tue, 09/15/2015 - 13:23

Hello everyone! i tryed to use this command (you could see it below) to initiate simulation with parallel computing
The manual says that i should use this command
mpirun -np 8 liggghts -in in.script
i used for the chute_wear example
mpirun -np 8 liggghts -in in.chute_wear

But is doesn't work properly, i mean, it uses only one processor and the log says:
1 by 1 by 1 MPI processor grid
Loop time of 115.306 on 1 procs for 99999 steps with 834 atoms

yes i added
export WM_NCOMPPROCS=8 to bashrc
and nproc gives me the right number of nproc=8

well could you be so kind to tell me what have i done wrong?

P.S. The full log i put as an attachment

P.P.S. i use Intel Xeon E5620 2 sockets each of them has 8 cores and 16 logical procs, does this kind of cpu have any mpirun troubles? couse openfoam uses all cpus perfectly and gives no mistakes

AttachmentSize
Binary Data chute_wear_logs.tar_.gz5.54 KB
aaigner's picture

aaigner | Tue, 09/15/2015 - 16:50

Hi Ural,
I am sry, I can't reproduce your error. It is working with my LIGGGHTS-PUBLIC.

How did you compile LIGGGHTS? Which Makefile did you use?

Bests
Andreas

Daniel Queteschiner | Tue, 09/15/2015 - 20:01

It shouldn't come as a surprise, though, that when compiled as serial application, LIGGGHTS won't run in parallel.
Note that when using make ubuntuVTK the VTK 5 library is required.

ural | Tue, 09/15/2015 - 20:24

As far as i remember i got some troubles during compilation of vtk 5.8 may i use the newest one 6.3 or i must use 5.9?

Daniel Queteschiner | Wed, 09/16/2015 - 07:52

If you are on Ubuntu there are packages available for 5.8 and 6.0 so you don't have to compile it yourself.
The newest VTK version should work as well (the last I tested was VTK 6.0) but you have to use the ubuntuVTK6 makefile in that case.

ural | Wed, 09/16/2015 - 14:19

I made it with Make fedora and everything went smoothly, it is intresting but Make UbuntuVTK5 compilation failed