[lammps-users] Question about LAMMPS

Dear Sir/Madam

I downloaded LAMMPS software from your website. It really helped me. I had a problem when I had used data file.

I made a data file and the software read that without any error. But, after that, the software sent a message “Setting up run …”. Then the following error appeared " Segmentation fault". I worked a lot but I couldn’t solve this problem.

Could you please help me for this?

Thanks for your help. I really appreciate it.

Best Regards.
Moslem Sabouri

Please post your input script and data file.
As small a version as reproduces the problem.


If you add this command it will run:

neigh_modify page 1000000 one 100000

The problem is b/c you have an extremely long cutoff
and a small box with lots of atoms (seems unphysically
dense) - so you have about 25,000 neighbors per atom,
which will run very slow.

Also you are integrating some atoms twice with fix rigid
and fix nve, which is almost certainly wrong. Hence
the warning LAMMPS printed.