[Smeagol-discuss] segmentation fault

[Ivan Rungger]

Hello Serhan,

  smeagol can in principle be compiled with gfortran, but I don't know.
The ifort compiler is surely the most used one, so with that one the
code should work well. Anyway also to compile with gfortran it would be
good to have compatible libraries preinstalled. If you compile the code
in serial mode, than you can use the libraries provided in the
smeagolpack directory, to do this just edit the Makefile accordingly
(some lines have to be commented out, and some others commented I think).

Can you please send the debug error message for the single zeta run, and
also all the standard output file? Because the last debug error you sent
clearly showed that the segmentation fault occurred when a large piece
of memory was allocated. So if you resend the error message for the SZ
run, we can see if there is the same problem. A note: just make sure
that you set all the limits related to memory (especially the stack
size) to unlimited in your shell when you run the code.

Cheers,

 Ivan

Serhan Yamacli wrote:
> Hi Ivan,
>
> I've used single zeta basis set but it gave the same error. Now, I'm
> trying to install Smeagol again with gfortran compiler. Which
> arch.make can I use with gfortran without any libraries installed to
> the system?
>
> Cheers,
> Serhan
>
>
> 2009/4/3 Ivan Rungger <runggeri at tcd.ie <mailto:runggeri at tcd.ie>>
> - Alıntı metni gizle -
>
> Hello Serhan,
>
>  Do you have the debugging error output for this run? I think it might
> still be a memory issue. Did/Can you try to get the single zeta
> calculation to run, because that should use a lot less memory?
>
> Cheers,
>
>  Ivan 


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

School of Physics and CRANN,  
Trinity College Dublin,  
Dublin 2,  IRELAND  
Phone: +353-1-8968454  
Email: runggeri at tcd.ie
=================================================