Virial was not tallied on needed timestep ..(compute pressure.cpp:223)

Well, that’s good, because it allows you to simplify your system. Thats the strategy I use. Keep doing that, over and over again, gradually making the input script as short and simple as possible. (It also helps to reduce the number of atom, if possible.) Usually after some simplification LAMMPS will magically begin working again and you will find out what caused the problem this way. (A good strategy for fighting with computers on general.)

If you don’t solve the problem, then you are left with a simple test case that you can post to the mailing list. The smaller and simpler the exam, the higher chance of someone looking at it.

I realize this might not have been the response you were hoping for. But it’s unlikely someone will be able to find your problem for you (especially with such little information)

Cheers and good luck.

andrew