Hi all,
I'm trying to simulate a (6,6) perfect nanotube. My py file is attached. I have 4 reps in electrodes and 10 reps in central region. But, ATK (or MPI) gives the error:
# ----------------------------------------------------------------
# Electrodes Calculation
# ----------------------------------------------------------------
# sc 0 : Fermi Energy = 0.00000 Ry
rank 0 in job 2 node01_40687 caused collective abort of all ranks
exit status of rank 0: killed by signal 9
Is there a way to overcome this problem?
Cheers,
Serhan
I asked this to MPI mail list and the answer is:
Try the latest version of MPICH2, 1.0.8. It is hard to say what the problem might be. Could even be a bug in the application.
This may help others that gets the error.
Cheers,
Serhan