[Smeagol-discuss] Strange transmission

[Ivan Rungger]

Hi Xiaohong,
>
> The output stops here. Then I got the following message:
>
> [3]-  Segmentation fault      (core dumped) siesta < transport.fdf >
> transport.out
The crash is probably during the calculation of the transmission
coefficient. This is usually caused by the use of some incompatible
libraries, there are a few emails about this problem in the list. I send
you a Makefie that I use, maybe you can compare yours to this, and try
out mine if it is different, there should also be some arch.make and
Makefiles in the mailing list emails. What you can also do is to compile
the code on different machines, and with different compilers, and see
where it works.

The WriteDMT options should be documented, and just tells the program to
output all the converged density matrices at each bias. The other
options are development options.

Cheers,

 Ivan
>
> Maybe the convergence has been finished. When it starts to do next
> thing, it collapsed. But from this message, I can not tell in which
> part the problem is. Maybe there are some problem in my version or in
> my compilation. Are there anything that we should pay attention to
> after we download the source code and compile it, please? By the way,
> in  the input files you sent to me, there are some parameters that I
> cannot find in the manual like "MixHamiltonian   F" , "WriteDMT     T"
> ,"Sigma.Method     1". What do they mean? Are there any other
> parameters that are not yet included in the manual, please?
>
>
>>
>>   
>
>
>


-- 
=================================================
Ivan Rungger,

School of Physics,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-6088454  
Email: runggeri at tcd.ie

=================================================

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