Greetings,
Is there a flag in the code somewhere, maybe in the comms headers or etc., that indicates when atoms are migrated between processors in the system?
Greetings,
Is there a flag in the code somewhere, maybe in the comms headers or etc.,
that indicates when atoms are migrated between processors in the system?
not exactly. this is done as part of the reneighboring and that is
triggered by the Neighbor::decide() method.
check out verlet.cpp and look for a line: nflag = neighbor->decide()
the result of that selects between a forward communication to update
ghost atom properties and a reneighbor and communication of atoms
between subdomains.
axel.
That’ll do it, thanks.
On a related note, would you happen to know if the lastcall variable in neighbor.h is set to the timestep before the current timestep in which forces are computed or the same timestep? Identically, is it possible for neighbor list builds to occur after forces are computed or do they always occur before forces are computed.
Dear Diaz Adrian
The neighbor list builds when the atom is moving more than half the skin parameters which can be modified with neigh_modify command. I think you can have neighbor builded before the force calculated by small change.
Thanks!
Hao
nvm, I found the order I was looking for in verlet.cpp; build() is always called before forces are computed so the lastcall variable would coincide.