Hi all,
i am trying to write a small code and compiling it with lammps. i would like to use the nanglelist and **anglelist. However i cannot understand if these two are different for each processor like for example nlocal or they have a global value?
Regards
Jim
Hi all,
i am trying to write a small code and compiling it with lammps. i
would like to use the nanglelist and **anglelist. However i cannot
understand if these two are different for each processor like for
example nlocal or they have a global value?
first of all, this is extremely trivial to test for
yourself: just print them out and run in parallel!
second. just do a little "grep" on the sources
and you'll easily see that those two variables
are "filled" during the neighborlist process,
which means that they are certainly "local"
and not "global" values.
third, with a little bit of logic thinking, you
can come to the very same conclusion. if you look
at the code in any of the angle styles, you'll see
that the loop is over all the angles in the list.
how should it be possible that this would be the
global list of angles, when a) the atoms are distributed
over domains and b) if each processor would loop over
all the angles the force contribution of the angles
would be multiplied by the number of processors?
axel.