[Smeagol-discuss] about the bias

[wlxyfeng at mail.ustc.edu.cn]

Hello everyone,
  When I add the bias, for example, 1V, I set the parameters like this: VInitial  
              0.0 eV
VFinal                   1.0 eV
NIVPoints                10
then do the calculation. It stopped after 0.3V bias finished, i.e. I can get the
transmissions with the bias equals 0V, 0.1V, 0.2V and 0.3V respectively. But I
can't get the results of other bias. It says like this:
/home/xiaoyan/MyWork/test/ET/bias-0.1
16
Wed May 13 17:58:18 CST 2009
[4] [MPI Abort by user] Aborting Program!
Abort signaled rank 4:MPI Abort by user Aborting program !
Exit code -3 signaled from compute-2-12
Killing remote processes...DONE
Thu May 14 02:03:50 CST 2009
 
And I tried on other nodes and different number of CPUs, with VInitial 0.4V, it
failed also.
  I don't know what the matter is. Any suggestions are welcome! Thanks a lot!

Xiaoyan