Dear Axel:

I use the "fix orient/fcc" command to calculate gb mobility of system with 14400 atoms,and add some new codes to get the boundary position,but results change with N,the number of processors used. As i know, the 14400 atoms will be distributed to N processors, and each processor will just calculate about 14400/N atoms.So for the below function,inum should equal 14400/N, not 14400,and the first "if" sentence, if(fabs(x[i][0])<30), just works for atoms belong to a specific processor, and the values of variables "number"and"sum" are evaluated for 14400/N atoms.

So, i wonder how to get values of "number" and "sum" for total 14400 atoms?

Below is part of "fix_orient_fcc.cpp", and those between "#####" are written by myself.

....

....

void FixOrientFCC::post_force(int vflag)

{

...

...

inum = list->inum;

for (ii = 0; ii < inum; ii++)

{

...

...

i = ilist[ii];