Dear All,
I am simulating a system of more than 100 thousand atoms, I need to calculate the coul interaction of all the atom pairs, which means that there is no rcut for the coul interaction. I have tried to increase the value of “ONE” and “Page” under the command of “neigh_modify”, but it does not work. Since I need not calculate the pair list, so I also try to revise the subroutine" pair_coul_cut.cpp", as following

// loop over neighbors of my atoms
num_total is the total atom number of the system
for (i = 0; i < num_total-1; i++) {
qtmp = q[i];
xtmp = x[i][0];
ytmp = x[i][1];
ztmp = x[i][2];
itype = type[i];

Dear All,
I am simulating a system of more than 100 thousand atoms, I need
to calculate the coul interaction of all the atom pairs, which means that
there is no rcut for the coul interaction. I have tried to increase the
value of "ONE" and "Page" under the command of "neigh_modify", but it does
not work. Since I need not calculate the pair list, so I also try to revise
the subroutine" pair_coul_cut.cpp", as following

// loop over neighbors of my atoms
num_total is the total atom number of the system
for (i = 0; i < num_total-1; i++) {
qtmp = q[i];
xtmp = x[i][0];
ytmp = x[i][1];
ztmp = x[i][2];
itype = type[i];

But the it still does not work. the error message is

################################################################################################
LAMMPS (29 Nov 2011)
Reading data file ...
orthogonal box = (-300.651 -300.303 0) to (300.651 300.303 19.08)
4 by 4 by 1 processor grid
131180 atoms
Setting up run ...

=====================================================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)
####################################################################################################

Anyone can tell me how to solve it, thanks!

you have a big problem:

what you want to compute is incompatible with a domain decomposition
based distributed data parallelization, since this is based on having
a cutoff. have a look at the LAMMPS paper.