Dear All,
I am performing silicon oxidation simulation with 4000 silicon atoms. when time pass by, some silicon atom desorb thus the number of silicon atoms continually decrease like 3979.3973, 3971…etc. at 600,000 fs. Once I have to kill my job because of electricity shutdown. Fortunately I used restart file.
Surprisingly I found calculation using restart file produce more silicon atoms for example 4061 which is not reasonable. However, from snapshots, it seem to me that nothing strange, it looks similar to initial snapshot. it seem there are ghost atoms. what happen actually? does it affect our calculation?
with best regards,
Dear All,
I am performing silicon oxidation simulation with 4000 silicon atoms. when
time pass by, some silicon atom desorb thus the number of silicon atoms
continually decrease like 3979.3973, 3971..etc. at 600,000 fs. Once I have
to kill my job because of electricity shutdown. Fortunately I used restart
file.
Surprisingly I found calculation using restart file produce more silicon
atoms for example 4061 which is not reasonable. However, from snapshots, it
seem to me that nothing strange, it looks similar to initial snapshot. it
seem there are ghost atoms. what happen actually? does it affect our
calculation?
ghost atoms will not be written to the restart.
so the only explanation is that you either picked
the wrong restart or there is some other mistake
that happened.
axel.