Dear all,
I know maybe it’s not a LAMMPS’s Q, but I still expect some advice from you. For the example input “in.shear”, the output is normal when running with single processor. However, the output becomes non-ordered when running with two processors, as shown in attached figure. Could you give me some advice about how can I fix this problem? Thanks in advance!
Best regards,
Damien
2009-07-21
Dear all,
damien,
I know maybe it's not a LAMMPS's Q, but I still expect some advice
right, it is not.
from you. For the example input "in.shear", the output is normal when
running with single processor. However, the output becomes non-ordered
when running with two processors, as shown in attached figure. Could
you give me some advice about how can I fix this problem? Thanks in
sorry, but i cannot reproduce your problem.
i suspect you are making a mistake when visualizing the trajectory.
how did you do that? since you are obviously using VMD, have you
tried the latest beta version of VMD?
cheers,
axel.
If the 2 log files for running on 1 vs 2 procs are basically the
same (modulo round-off and diverging trajectories), then
you can be confident LAMMPS is doing the right thing.
The atoms within a snapshot are in no particular order,
so those won't be the same for the 2 runs. But the values
will be for any one atom.
Steve